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When the transition temperature of a continuous phase transition is tuned to absolute zero, new ordered phases and physical behaviour emerge in the vicinity of the resulting quantum critical point. Sr3Ru2O7 can be tuned through quantum criticality with magnetic field at low temperature. Near its critical field Bc it displays the hallmark T-linear resistivity and a \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$T\,{{{{{{\mathrm{log}}}}}}}\,(1/T)$$\end{document}Tlog(1/T) electronic heat capacity behaviour of strange metals. However, these behaviours have not been related to any critical fluctuations. Here we use inelastic neutron scattering to reveal the presence of collective spin fluctuations whose relaxation time and strength show a nearly singular variation with magnetic field as Bc is approached. The large increase in the electronic heat capacity and entropy near Bc can be understood quantitatively in terms of the scattering of conduction electrons by these spin-fluctuations. On entering the spin-density-wave ordered phase present near Bc, the fluctuations become stronger suggesting that the order is stabilised through an “order-by-disorder” mechanism., Sr3Ru2O7 exhibits a quantum critical point tunable by magnetic field and has been widely used in the study of criticality. Here, by using inelastic neutron scattering, the authors measure collective magnetic excitations near the quantum critical point and relate them to thermodynamic properties and spin density wave order.

We propose a superconducting instability where microscopic supercurrent loops form spontaneously within a unit cell at the superconducting transition temperature with only uniform, onsite and intra-orbital singlet pairing. As a result of the circulating currents time-reversal symmetry is spontaneously broken in the superconducting state. Using Ginzburg-Landau theory, we describe in detail how these currents emerge in a toy model. We discuss the crystallographic symmetry requirements to realize such a state and show that they are met by the Re6X (X=Zr, Hf, Ti) family of time-reversal symmetry breaking, but otherwise seemingly conventional, superconductors. We estimate an upper bound for the resulting internal fields and find it to be consistent with recent muon-spin relaxation experiments., Comment: 10 pages, 3 figures (More references added)

We present a theoretical study of the potential of Principal Component Analysis to analyse magnetic diffuse neutron scattering data on quantum materials. To address this question, we simulate the scattering function $S\left(\mathbf{q}\right)$ for a model describing a cluster magnet with anisotropic spin-spin interactions under different conditions of applied field and temperature. We find high dimensionality reduction and that the algorithm can be trained with surprisingly small numbers of simulated observations. Subsequently, observations can be projected onto the reduced-dimensionality space defined by the learnt principal components. Constant-field temperature scans corresponds to trajectories in this space which show characteristic bifurcations at the critical fields corresponding to ground-state phase boundaries. Such plots allow the ground-state phase diagram to be accurately determined from finite-temperature measurements., 12 pages, 9 figures; author's accepted version with improved discussions and additional appendices

In recent years, Artificial Intelligence techniques have proved to be very successful when applied to problems in physical sciences. Here we apply an unsupervised Machine Learning (ML) algorithm called Principal Component Analysis (PCA) as a tool to analyse the data from muon spectroscopy experiments. Specifically, we apply the ML technique to detect phase transitions in various materials. The measured quantity in muon spectroscopy is an asymmetry function, which may hold information about the distribution of the intrinsic magnetic field in combination with the dynamics of the sample. Sharp changes of shape of asymmetry functions - measured at different temperatures - might indicate a phase transition. Existing methods of processing the muon spectroscopy data are based on regression analysis, but choosing the right fitting function requires knowledge about the underlying physics of the probed material. Conversely, Principal Component Analysis focuses on small differences in the asymmetry curves and works without any prior assumptions about the studied samples. We discovered that the PCA method works well in detecting phase transitions in muon spectroscopy experiments and can serve as an alternative to current analysis, especially if the physics of the studied material are not entirely known. Additionally, we found out that our ML technique seems to work best with large numbers of measurements, regardless of whether the algorithm takes data only for a single material or whether the analysis is performed simultaneously for many materials with different physical properties., Comment: 11 pages, 7 figures, to be submitted to the Journal of Physics: Condensed Matter special issue on "Machine Learning in Condensed Matter Physics"

Chiral superconductors are novel topological materials with finite angular momentum Cooper pairs circulating around a unique chiral axis, thereby spontaneously breaking time-reversal symmetry. They are rather scarce and usually feature triplet pairing: a canonical example is the chiral p-wave state realized in the A-phase of superfluid He3. Chiral triplet superconductors are, however, topologically fragile with the corresponding gapless boundary modes only weakly protected against symmetry-preserving perturbations in contrast to their singlet counterparts. Using muon spin relaxation measurements, here we report that the weakly correlated pnictide compound LaPt3P has the two key features of a chiral superconductor: spontaneous magnetic fields inside the superconducting state indicating broken time-reversal symmetry and low temperature linear behaviour in the superfluid density indicating line nodes in the order parameter. Using symmetry analysis, first principles band structure calculation and mean-field theory, we unambiguously establish that the superconducting ground state of LaPt3P is a chiral d-wave singlet., Nature Communications, 12 (1), ISSN:2041-1723

Superconductivity and magnetism are antagonistic states of matter. The presence of spontaneous magnetic fields inside the superconducting state is, therefore, an intriguing phenomenon prompting extensive experimental and theoretical research. In this review, we discuss recent experimental discoveries of unconventional superconductors which spontaneously break time-reversal symmetry and theoretical efforts in understanding their properties. We discuss the main experimental probes and give an extensive account of theoretical approaches to understand the order parameter symmetries and the corresponding pairing mechanisms including the importance of multiple bands., 29 pages, 10 figures

We report the discovery of Zr$_3$Ir as a new type of unconventional noncentrosymmetric superconductor (with $T_c = 2.3$ K), here investigated mostly via muon-spin rotation/relaxation ($\mu$SR) techniques. Its superconductivity was characterized using magnetic susceptibility, electrical resistivity, and heat capacity measurements. The low-temperature superfluid density, determined via transverse-field $\mu$SR and electronic specific heat, suggests a fully-gapped superconducting state. The spontaneous magnetic fields, revealed by zero-field $\mu$SR below $T_c$, indicate the breaking of time-reversal symmetry in Zr$_3$Ir and, hence, the unconventional nature of its superconductivity. By using symmetry arguments and electronic-structure calculations we obtain a superconducting order parameter that is fully compatible with the experimental observations. Hence, our results clearly suggest that Zr$_3$Ir represents a new member of noncentrosymmetric superconductors with broken time-reversal symmetry., Comment: 6 pages, 4 figuress; supplementary materials can be accessed from corresponding authors

Ginzburg-Landau vortices in superconductors attract or repel depending on whether the value of the coupling constant is less than 1 or larger than 1. At critical coupling it was previously observed that a strongly localised magnetic impurity behaves very similarly to a vortex. This remains true for axially symmetric configurations away from critical coupling. In particular, a delta function impurity of a suitable strength is related to a vortex configuration without impurity by singular gauge transformation. However, the interaction of vortices and impurities is more subtle and depends not only on the coupling constant and the impurity strength, but also on how broad the impurity is. Furthermore, the interaction typically depends on the distance and may be attractive at short distances and repulsive at long distances. Numerical simulations confirm moduli space approximation results for the scattering of one and two vortices with an impurity. However, a double vortex will split up when scattering with an impurity, and the direction of the split depends on the sign of the impurity. Head-on collisions of a single vortex with different impurities away from critical coupling is also briefly discussed., 39 pages, 18 figures, this version is accepted for publication in PRD

The exceptionally low-symmetry crystal structures of the time-reversal symmetry breaking superconductors LaNiC$_2$ and LaNiGa$_2$ lead to an internally-antisymmetric non-unitary triplet (INT) state as the only possibility compatible with experiments. We argue that this state has a distinct signature: a double-peak structure in the Density of States (DOS) which resolves in the spin channel in a particular way. We construct a detailed model of LaNiGa$_2$ capturing its electronic band structure and magnetic properties ab initio. The pairing mechanism is described via a single adjustable parameter. The latter is fixed by the critical temperature $T_c$ allowing parameter-free predictions. We compute the electronic specific heat and find excellent agreement with experiment. The size of the ordered moment in the superconducting state is compatible with zero-field muon spin relaxation experiments and the predicted spin-resolved DOS suggests the spin-splitting is within the reach of present experimental technology., Comment: Accepted in PRB as a rapid communication

The spin ice materials Ho$_{2}$Ti$_{2}$O$_{7}$ and Dy$_{2}$Ti$_{2}$O$_{7}$ are by now perhaps the best-studied classical frustrated magnets. A crucial step towards the understanding of their low temperature behaviour -- both regarding their unusual dynamical properties and the possibility of observing their quantum coherent time evolution -- is a quantitative understanding of the spin-flip processes which underpin the hopping of magnetic monopoles. We attack this problem in the framework of a quantum treatment of a single-ion subject to the crystal, exchange and dipolar fields from neighbouring ions. By studying the fundamental quantum mechanical mechanisms, we discover a bimodal distribution of hopping rates which depends on the local spin configuration, in broad agreement with rates extracted from experiment. Applying the same analysis to Pr$_{2}$Sn$_{2}$O$_{7}$ and Pr$_{2}$Zr$_{2}$O$_{7}$, we find an even more pronounced separation of timescales signalling the likelihood of coherent many-body dynamics., 5 pages, 2 figures, 1 table; supplemental material attached

An analytical model of electric field assisted diffusion of ions into glass is extended to include two indigenous mobile ion species that are initially uniformly distributed within the glass. A quasi-stationary state solution that includes diffusion effects and is applicable when the invasive ions have a lower mobility than the two indigenous species is presented. It is relevant to the electrical poling of soda-lime and borosilicate glasses with concentrations of mobile ions (Na+, K+) that are processed with a non-blocking anode where hydrogen ion injection occurs. The model is compared with numerical solutions based on the drift-diffusion equations and Poisson's equation and shows good agreement. The increase in the concentration of the indigenous species with the lower mobility (K+) below the poled layer within a pile-up region is accurately modelled.

We investigate whether by synthesising superconductors that are tuned to a topological, node-reconstruction transition point we could create superconducting wires that are intrinsically resilient to quenches. Recent work shows that the exponent characterising the temperature dependence of the specific heat of a nodal superconductor is lowered over a region of the phase diagram near topological transitions where nodal lines form or reconnect. Our idea is that the resulting enhancement of the low-temperature specific heat could have potential application in the prevention of superconductor quenches. We perform numerical simulations of a simplified superconductor quench model. Results show that decreasing the specific heat exponent can prevent a quench from occurring and improve quench resilience, though in our simple model the effects are small. Further work will be necessary to establish the practical feasibility of this approach., Comment: Accepted version for IEEE-TAS (Proceedings of EUCAS 2017)

A diverse range of materials and properties are exhibited by layered perovskites. We report on the synthesis, characterization, and computational investigation of a new ferroelectric?CsBi2Ti2NbO10, an n = 3 member of the Dion?Jacobson (DJ) family. Structural studies using variable temperature neutron powder diffraction indicate that a combination of octahedral rotations and polar displacements result in the polar structure. Density functional theory calculations reveal that the wider perovskite blocks in CsBi2Ti2NbO0 stabilize proper ferroelectricity, in contrast to the hybrid-improper ferroelectricity reported for all other DJ phases. Our results raise the possibility of a new class of proper ferroelectric materials analogous to the well-known Aurivillius phases.

Clustered quantum materials provide a new platform for the experimental study of many-body entanglement. Here we address a simple model of a single-molecule nano-magnet featuring N interacting spins in a transverse field. The field can induce an entanglement transition (ET). We calculate the magnetisation, low-energy gap and neutron-scattering cross-section and find that the ET has distinct signatures, detectable at temperatures as high as 5% of the interaction strength. The signatures are stronger for smaller clusters., 14 pages, 11 Figures; minor changes; Phys. Rev. B (accepted)

We study zigzag interfaces between insulating compounds that are isostructural to graphene, specifically II-VI, III-V and IV-IV two-dimensional (2D) honeycomb insulators. We show that these one-dimensional interfaces are polar, with a net density of excess charge that can be simply determined by using the ideal (integer) formal valence charges, regardless of the predominant covalent character of the bonding in these materials. We justify this finding on fundamental physical grounds, by analyzing the topology of the formal polarization lattice in the parent bulk materials. First principles calculations elucidate an electronic compensation mechanism not dissimilar to oxide interfaces, which is triggered by a Zener-like charge transfer between interfaces of opposite polarity. In particular, we predict the emergence of one dimensional electron and hole gases (1DEG), which in some cases are ferromagnetic half-metallic., Comment: 5 pages, 3 figures

The formation of a two-dimensional electron gas at oxide interfaces as a consequence of polar discontinuities has generated an enormous amount of activity due to the variety of interesting effects it gives rise to. Here we study under what circumstances similar processes can also take place underneath ferroelectric thin films. We use a simple Landau model to demonstrate that in the absence of extrinsic screening mechanisms a monodomain phase can be stabilized in ferroelectric films by means of an electronic reconstruction. Unlike in the LaAlO$_3$/SrTiO$_3$ heterostructure, the emergence with thickness of the free charge at the interface is discontinuous. This prediction is confirmed by performing first principles simulations of free standing slabs of PbTiO$_3$. The model is also used to predict the response of the system to an applied electric field, demonstrating that the two-dimensional electron gas can be switched on and off discontinuously and in a non-volatile fashion. Furthermore, the reversal of the polarization can be used to switch between a two-dimensional electron gas and a two-dimensional hole gas, which should, in principle, have very different transport properties. We discuss the possible formation of polarization domains and how such configuration competes with the spontaneous accumulation of free charge at the interfaces., Comment: 19 pages, 10 figures

Conventional intercalation cathodes for lithium batteries store charge in redox reactions associated with the transition metal cations, e.g., Mn3+/4+ in LiMn2O4, and this limits the energy storage of Li-ion batteries. Compounds such as Li[Li0.2Ni0.2Mn0.6]O-2 exhibit a capacity to store charge in excess of the transition metal redox reactions. The additional capacity occurs at and above 4.5 V versus Li+/Li. The capacity at 4.5 V is dominated by oxidation of the O-2(-) anions accounting for similar to 0.43 e(-)/formula unit, with an additional 0.06 e(-)/formula unit being associated with O loss from the lattice. In contrast, the capacity above 4.5 V is mainly O loss, similar to 0.08 e(-)/formula. The O redox reaction involves the formation of localized hole states on O during charge, which are located on O coordinated by (Mn4+/Li+). The results have been obtained by combining operando electrochemical mass spec on 180 labeled Li[Li0.2Ni0.2Mn0.6]O-2 with XANES, soft X-ray spectroscopy, resonant inelastic X-ray spectroscopy, and Raman spectroscopy. Finally the general features of O redox are described with discussion about the role of comparatively ionic (less covalent) 3d metal oxygen interaction on anion redox in lithium rich cathode materials.

The study of magnetic correlations in dipolar-coupled nanomagnet systems with synchrotron x-ray scattering provides a means to uncover emergent phenomena and exotic phases, in particular in systems with thermally active magnetic moments. From the diffuse signal of soft x-ray resonant magnetic scattering, we have measured magnetic correlations in a highly dynamic artificial kagome spin ice with sub-70-nm Permalloy nanomagnets. On comparing experimental scattering patterns with Monte Carlo simulations based on a needle-dipole model, we conclude that kagome ice I phase correlations exist in our experimental system even in the presence of moment fluctuations, which is analogous to bulk spin ice and spin liquid behavior. In addition, we describe the emergence of quasi-pinch-points in the magnetic diffuse scattering in the kagome ice I phase. These quasi-pinch-points bear similarities to the fully developed pinch points with singularities of a magnetic Coulomb phase, and continually evolve into the latter on lowering the temperature. The possibility to measure magnetic diffuse scattering with soft x rays opens the way to study magnetic correlations in a variety of nanomagnetic systems., 8 pages, 5 figures; http://journals.aps.org/prb/abstract/10.1103/PhysRevB.93.224413

The Seebeck coefficient, thermoelectric power factor, electrical conductivity, and electronic thermal conductivity of the orthorhombic Pbnm phase of SrRuO3 are studied comprehensively by combining first-principles density functional calculations and Boltzmann transport theory. The influence of exchange-correlation functional on the Seebeck coefficient is carefully investigated. We show that the best agreement with experimental data is achieved when SrRuO3 is described as being at the limit of a half-metal. Furthermore, we analyze the role of individual symmetry-adapted atomic distortions on the Seebeck coefficient, highlighting a particularly strong sensitivity to R-4(+) oxygen rotational motions, which may shed light on how to manipulate the Seebeck coefficient. We confirm that the power factor of SrRuO3 can only be slightly improved by carrier doping. Our results provide a complete understanding of the thermoelectric properties of SrRuO3 and an interesting insight on the relationship between exchange-correlation functionals, atomic motions, and thermoelectric quantities.

The Jahn-Teller distortion, by its very nature, is often at the heart of the various electronic properties displayed by perovskites and related materials. Despite the Jahn-Teller mode being non- polar in nature, we devise and demonstrate in the present letter an electric field control of Jahn-Teller distortions in bulk perovskites. The electric field control is enabled through an anharmonic lattice mode coupling between the Jahn-Teller distortion and a polar mode. We confirm this coupling, and explicitly an electric field effect, through first principles calculations. The coupling will always exist within the P b2 1 m space group, which is found to be the favoured ground state for various perovskites under sufficient tensile epitaxial strain. Intriguingly, the calculations reveal that this mechanism is not only restricted to Jahn-Teller active systems, promising a general route to tune or induce novel electronic functionality in perovskites as a whole.

In magnetic materials, the Pauli exclusion principle typically drives anti-alignment between electron spins on neighbouring species resulting in antiferromagnetic behaviour. Ferromagnetism exhibiting spontaneous spin alignment is a fairly rare behaviour, but once materialized is often associated with itinerant electrons in metals. Here we predict and rationalize robust ferromagnetism in an insulating oxide perovskite structure based on the popular titanate series. In half-doped layered titanates, the combination of Jahn–Teller and oxygen breathing motions opens a band gap and creates an unusual charge and orbital ordering of the Ti d electrons. It is argued that this intriguingly intricate electronic network favours the elusive inter-site ferromagnetic (FM) ordering, on the basis of intra-site Hund's rules. Finally, we find that the layered oxides are also ferroelectric with a spontaneous polarization approaching that of BaTiO3. The concepts are general and design principles of the technologically desirable FM ferroelectric multiferroics are presented., Magnetic insulators often display antiferromagnetic ordering owing to implications from the Pauli exclusion principle. Here, the authors predict ferromagnetism on the basis of intra-site Hund's rules in ferroelectric titanate superlattices showing charge and Jahn–Teller induced orbital orderings.

We study the Fermi surface topological transition of the pocket-opening type in a two dimensional Fermi liquid. We find that the paramagnetic fluctuations in an interacting Fermi liquid typically drive the transition first order at zero temperature. We first gain insight from a calculation using second order perturbation theory in the self-energy. This is valid for weak interaction and far from instabilities. We then extend the results to stronger interaction, using the self-consistent fluctuation approximation. Experimental signatures are given in the light of these results., Comment: 4.5 pages, 3 figures

The quest for realizations of non-Abelian phases of matter, driven by their possible use in fault-tolerant topological quantum computing, has been spearheaded by recent developments in p-wave superconductors. The chiral p_x + i p_y-wave superconductor in two-dimensions exhibiting Majorana modes provides the simplest phase supporting non-Abelian quasiparticles and can be seen as the blueprint of fractional topological order. Alternatively, Kitaev's Majorana wire has emerged as an ideal toy model to understand Majorana modes. Here, we present a way to make the transition from Kitaev's Majorana wires to two-dimensional p-wave superconductors in a system with cold atomic gases in an optical lattice. The main idea is based on an approach to generate p-wave interactions by coupling orbital degrees of freedom with strong s-wave interactions. We demonstrate how this design can induce Majorana modes at edge dislocations in the optical lattice and we provide an experimentally feasible protocol for the observation of the non-Abelian statistics.

Perovskite oxides are already widely used in industry and have huge potential for novel device applications thanks to the rich physical behaviour displayed in these materials. The key to the functional electronic properties exhibited by perovskites is often the so-called Jahn-Teller distortion. For applications, an electrical control of the Jahn-Teller distortions, which is so far out of reach, would therefore be highly desirable. Based on universal symmetry arguments, we determine new lattice mode couplings that can provide exactly this paradigm, and exemplify the effect from first-principles calculations. The proposed mechanism is completely general, however for illustrative purposes, we demonstrate the concept on vanadium based perovskites where we reveal an unprecedented orbital ordering and Jahn-Teller induced ferroelectricity. Thanks to the intimate coupling between Jahn-Teller distortions and electronic degrees of freedom, the electric field control of Jahn-Teller distortions is of general relevance and may find broad interest in various functional devices., Comment: The first two authors contributed equally

We study a quantum Hall bilayer system of bosons at total filling factor $\nu = 1$, and study the phase that results from short ranged pair-tunneling combined with short ranged interlayer interactions. We introduce two exactly solvable model Hamiltonians which both yield the coupled Moore-Read state [Phys.~Rev.~Lett.~{\bf 108}, 256809 (2012)] as a ground state, when projected onto fixed particle numbers in each layer. One of these Hamiltonians describes a gapped topological phase while the other is gapless. However, on introduction of a pair tunneling term, the second system becomes gapped and develops the same topological order as the gapped Hamiltonian. Supported by the exact solution of the full zero-energy quasihole spectrum and a conformal field theory approach, we develop an intuitive picture of this system as two coupled composite fermion superconductors. In this language, pair tunneling provides a Josephson coupling of the superconducting phases of the two layers, and gaps out the Goldstone mode associated with particle transport between the layers. In particular, this implies that quasiparticles are confined between the layers. In the bulk, the resulting phase has the topological order of the Halperin 220 phase with $U(1)_2\times U(1)_2$ topological order, but it is realized in the symmetric/antisymmetric-basis of the layer index. Consequently, the edge spectrum at a fixed particle number reveals an unexpected $U(1)_4 \times U(1)$ structure., Comment: 20 pages, 4 figures, 3 tables

The response of oxide thin films to polar discontinuities at interfaces and surfaces has generated an enormous activity due to the variety of interesting effects it gives rise to. A case in point is the discovery of the electron gas at the interface between LaAlO3 and SrTiO3, which has since been shown to be quasi-two-dimensional, switchable, magnetic and/or superconducting. Despite these findings, the origin of the two-dimensional electron gas is highly debated and several possible mechanisms remain. Here we review the main proposed mechanisms and attempt to model expected effects in a quantitative way with the ambition of better constraining what effects can/cannot explain the observed phenomenology. We do it in the framework of a phenomenological model for understanding electronic and/or redox screening of the chemical charge in oxide heterostructures. We also discuss the effect of intermixing, both conserving and non-conserving the total stoichiometry., 34 pages, 9 figures

The aim was to determine the most effective calcium precursor for synthesis of sol-gel hybrids and for improving homogeneity of sol-gel bioactive glasses. Sol-gel derived bioactive calcium silicate glasses are one of the most promising materials for bone regeneration. Inorganic/organic hybrid materials, which are synthesized by incorporating a polymer into the sol-gel process, have also recently been produced to improve toughness. Calcium nitrate is conventionally used as the calcium source, but it has several disadvantages. Calcium nitrate causes inhomogeneity by forming calcium-rich regions, and it requires high temperature treatment (400 °C) for calcium to be incorporated into the silicate network. Nitrates are also toxic and need to be burnt off. Calcium nitrate therefore cannot be used in the synthesis of hybrids as the highest temperature used in the process is typically 40-60 °C. Therefore, a different precursor is needed that can incorporate calcium into the silica network and enhance the homogeneity of the glasses at low (room) temperature. In this work, calcium methoxyethoxide (CME) was used to synthesize sol-gel bioactive glasses with a range of final processing temperatures from 60 to 800 °C. Comparison is made between the use of CME and calcium chloride and calcium nitrate. Using advanced probe techniques, the temperature at which Ca is incorporated into the network was identified for 70S30C (70 mol % SiO(2), 30 mol % CaO) for each of the calcium precursors. When CaCl(2) was used, the Ca did not seem to enter the network at any of the temperatures used. In contrast, Ca from CME entered the silica network at room temperature, as confirmed by X-ray diffraction, (29)Si magic angle spinning nuclear magnetic resonance spectroscopy, and dissolution studies. CME should be used in preference to calcium salts for hybrid synthesis and may improve homogeneity of sol-gel glasses.

We study correlated phases occurring in the flat lowest band of the dice lattice model at flux density one half. We discuss how to realize the dice lattice model, also referred to as the T_3 lattice, in cold atomic gases. We construct the projection of the model to the lowest dice band, which yields a Hubbard-Hamiltonian with interaction-assisted hopping processes. We solve this model for bosons in two limits. In the limit of large density, we use Gross-Pitaevskii mean-field theory to reveal time-reversal symmetry breaking vortex lattice phases. At low density, we use exact diagonalization to identify three stable phases at fractional filling factors \nu of the lowest band, including a classical crystal at \nu=1/3, a supersolid state at \nu=1/2 and a Mott insulator at \nu=1., Comment: 5 pages, 4 figures; v2: final published version, title changed

We use particle entanglement spectra to characterize bosonic quantum Hall states on lattices, motivated by recent studies of bosonic atoms on optical lattices. Unlike for the related problem of fractional Chern insulators, very good trial wavefunctions are known for fractional quantum Hall states on lattices. We focus on the entanglement spectra for the Laughlin state at $\nu=1/2$ for the non-Abelian Moore-Read state at $\nu=1$. We undertake a comparative study of these trial states to the corresponding groundstates of repulsive two-body or three-body contact interactions on the lattice. The magnitude of the entanglement gap is studied as a function of the interaction strength on the lattice, giving insights into the nature of Landau-level mixing. In addition, we compare the performance of the entanglement gap and overlaps with trial wavefunctions as possible indicators for the topological order in the system. We discuss how the entanglement spectra allow to detect competing phases such as a Bose-Einstein condensate., Comment: 12 pages, 9 figures

Against expectations, robust switchable ferroelectricity has been recently observed in ultrathin (1 nm) ferroelectric films exposed to air [V. Garcia $et$ $al.$, Nature {\bf 460}, 81 (2009)]. Based on first-principles calculations, we show that the system does not polarize unless charged defects or adsorbates form at the surface. We propose electrochemical processes as the most likely origin of this charge. The ferroelectric polarization of the film adapts to the bound charge generated on its surface by redox processes when poling the film. This, in turn, alters the band alignment at the bottom electrode interface, explaining the observed tunneling electroresistance. Our conclusions are supported by energetics calculated for varied electrochemical scenarios., Comment: Updated, 7 pages

We have employed large scale exact numerical diagonalization in Haldane spherical geometry in a comparative analysis of the correlated many-electron states in the half-filled low Landau levels of graphene and such conventional semiconductors as GaAs, including both spin and valley (i.e., pseudospin) degrees of freedom. We present evidence that the polarized Fermi sea of essentially non-interacting composite fermions remains stable against a pairing transition in both lowest Landau levels of graphene. However, it undergoes spontaneous depolarization, which in (ideal) graphene is unprotected for the lack of a single-particle pseudospin splitting. These results point to the absence of the non-Abelian Pfaffian phase in graphene.

We studied charged excitations of the ν=5/2 fractional quantum Hall state allowing for spin depolarization. It is generally accepted that the ground state is a spin-polarized incompressible quantum liquid, adiabatically connected to the Pfaffian state, whose spin-polarized quasiholes (QHs) obey non-Abelian statistics. Using numerical diagonalization and taking account of non-zero well widths we demonstrated that at a sufficiently low Zeeman energy it is energetically favorable for pairs of charge e/4 QHs to bind into charge e/2 Skyrmions. We showed that Skyrmion formation is further promoted by disorder, and argue that this can lead to a depolarized ground state in realistic experimental situations. © 2011 American Institute of Physics.

We present evidence supporting the weakly paired Moore-Read phase in the half-filled second Landau level, focusing on some of the qualitative features of its excitations. Based on numerical studies, we show that systems with odd particle number at the flux N_\phi=2N-3 can be interpreted as a neutral fermion mode of one unpaired fermion, which is gapped. The mode is found to have two distinct minima, providing a signature that could be observed by photoluminescence. In the presence of two quasiparticles the same neutral fermion excitation is shown to be gapless, confirming expectations for non-Abelian statistics of the Ising model with degenerate fusion channels 1 and \psi.

We consider a two-dimensional model of noninteracting chains of spinless fermions weakly coupled via a small interchain hopping and a repulsive interchain interaction. The phase diagram of this model has a surprising feature: an abrupt change in the Fermi surface as the interaction is increased. We study in detail this metanematic transition and show that the well-known 2 1 2 -order Lifshitz transition is the critical end point of this first-order quantum phase transition. Furthermore, in the vicinity of the end point, the order parameter has a nonperturbative BCS-type form. We also study a competing crystallization transition in this model and derive the full phase diagram. This physics can be demonstrated experimentally in dipolar ultracold atomic or molecular gases. In the presence of a harmonic trap, it manifests itself as a sharp jump in the density profile. © 2010 The American Physical Society.

It is now well established that in two-dimensional chiral p-wave paired superfluids, the vortices carry zero-energy modes which obey non-abelian exchange statistics and can potentially be used for topological quantum computation. In such superfluids there may also exist other excitations below the bulk gap inside the cores of vortices. We study the properties of these subgap states, and argue that their presence affects the topological protection of the zero modes. In conventional superconductors where the chemical potential is of the order of the Fermi energy of a non-interacting Fermi gas, there is a large number of subgap states and the mini-gap towards the lowest of these states is a small fraction of the Fermi energy. It is therefore difficult to cool the system to below the mini-gap and at experimentally available temperatures, transitions between the subgap states, including the zero modes, will occur and can alter the quantum states of the zero-modes. We show that compound qubits involving the zero-modes and the parity of the occupation number of the subgap states on each vortex are still well defined. However, practical schemes taking into account all subgap states would nonetheless be difficult to achieve. We propose to avoid this difficulty by working in the regime of small chemical potential mu, near the transition to a strongly paired phase, where the number of subgap states is reduced. We develop the theory to describe this regime of strong pairing interactions and we show how the subgap states are ultimately absorbed into the bulk gap. Since the bulk gap vanishes as mu -> 0 there is an optimum value mu_c which maximises the combined gap. We propose cold atomic gases as candidate systems where the regime of strong interactions can be explored, and explicitly evaluate mu_c in a Feshbach resonant K-40 gas., 19 pages, 10 figures; v2: main text as published version, additional detail included as appendices

We report on exact-diagonalization studies of correlated many-electron states in the half-filled Landau levels of graphene, including pseudospin (valley) degeneracy. We demonstrate that the polarized Fermi sea of non-interacting composite fermions remains stable against a pairing transition in the lowest two Landau levels. However, it undergoes spontaneous depolarization, which is unprotected owing to the lack of single-particle pseudospin splitting. These results suggest the absence of the Pfaffian phase in graphene., Comment: 3 pages, 4 figures (revision: reference update)

The polar interface between LaAlO$_{3}$ and SrTiO$_{3}$ has shown promise as a field effect transistor, with reduced (nanoscale) feature sizes and potentially added functionality over conventional semiconductor systems. However, the mobility of the interfacial two-dimensional electron gas (2DEG) is lower than desirable. Therefore to progress, the highly debated origin of the 2DEG must be understood. Here we present a case for surface redox reactions as the origin of the 2DEG, in particular surface O vacancies, using a model supported by first principles calculations that describes the redox formation. In agreement with recent spectroscopic and transport measurements, we predict a stabilization of such redox processes (and hence Ti 3$d$ occupation) with film thickness beyond a critical value, which can be smaller than the critical thickness for 2D electronic conduction, since the surface defects generate trapping potentials that will affect the interface electron mobility. Several other recent experimental results, such as lack of core level broadening and shifts, find natural explanation. Pristine systems will likely require changed growth conditions or modified materials with a higher vacancy free energy., Comment: Revised version

We study charged excitations of the non-abelian Moore-Read liquid at filling factor nu=5/2, allowing for spin depolarization. Using a combination of numerical studies, and taking account of non-zero well widths, we find that at sufficiently low Zeeman energy it is energetically favourable for charge e/4 quasiholes to bind into "skyrmions" of charge e/2. We show that skyrmion formation is further promoted by disorder, and argue that this can lead to a depolarized nu=5/2 ground state in realistic experimental situations. We comment on the consequences for the activated transport., 4 pages, 3 figures

We study a rapidly rotating gas of unpolarized spin-1/2 ultracold fermions in the two-dimensional regime when all atoms reside in the lowest Landau level. Due to the presence of the spin degree of freedom both s-wave and p-wave interactions are allowed at ultralow temperatures. We investigate the phase diagram of this system as a function of the filling factor in the lowest Landau level and in terms of the ratio between s- and p-wave interaction strengths. We show that the presence of attractive interactions induces a wide regime of phase separation with formation of maximally compact droplets that are either fully polarized or composed of spin-singlets. In the regime with no phase separation, we give evidence for fractional quantum Hall states. Most notably, we find two distinct singlet states at the filling nu =2/3 for different interactions. One of these states is accounted for by the composite fermion theory while the other one is a paired state for which we identify two competing descriptions with different topological structure. This paired state may be an Abelian liquid of composite spin-singlet Bose molecules with Laughlin correlations. Alternatively, it may be a known non-Abelian paired state, indicated by good overlaps with the corresponding trial wavefunction. By fine tuning of the scattering lengths it is possible to create the non-Abelian critical Haldane-Rezayi state for nu =1/2 and the permanent state of Moore and Read for nu =1. For purely repulsive interactions, we also find evidence for a gapped Halperin state at nu=2/5., 12 pages, 9 figs (best viewed in color), published version with additional evidence for a non-Abelian spin singlet state at filling nu=2/3

We study theoretically the low-temperature phases of a two-component atomic Fermi gas with attractive s-wave interactions under conditions of rapid rotation. We find that, in the extreme quantum limit, when all particles occupy the lowest Landau level, the normal state is unstable to the formation of "charge" density wave (CDW) order. At lower rotation rates, when many Landau levels are occupied, we show that the low-temperature phases can be supersolids, involving both CDW and superconducting order., 4 pages, 1 figure, uses feynmp.sty

We construct a family of BCS paired composite fermion wavefunctions that generalize, but remain in the same topological phase as, the Moore-Read Pfaffian state for the half-filled Landau level. It is shown that for a wide range of experimentally relevant inter-electron interactions the groundstate can be very accurately represented in this form., 4 pages, 2 figures

We study a frustrated dipolar array recently manufactured lithographically by Wang {\em et al.} [Nature {\bf 439}, 303 (2006)] in order to realize the square ice model in an artificial structure. We discuss models for thermodynamics and dynamics of this system. We show that an ice regime can be stabilized by small changes in the array geometry; a different magnetic state, kagome ice, can similarly be constructed. At low temperatures, the square ice regime is terminated by a thermodynamic ordering transition, which can be chosen to be ferro- or antiferromagnetic. We show that the arrays do not fully equilibrate experimentally, and identify a likely dynamical bottleneck., Comment: 4 pages, 4 figures; v2: minor modifications in typesetting, figures 1 and 3 updated

The method of Jain and Kamilla [PRB {\bf 55}, R4895 (1997)] allows numerical generation of composite fermion trial wavefunctions for large numbers of electrons in high magnetic fields at filling fractions of the form nu=p/(2mp+1) with m and p positive integers. In the current paper we generalize this method to the case where the composite fermions are in an effective (mean) field with opposite sign from the actual physical field, i.e. when p is negative. We examine both the ground state energies and the low energy neutral excitation spectra of these states. Using particle-hole symmetry we can confirm the correctness of our method by comparing results for the series m=1 with p>0 (previously calculated by others) to our results for the conjugate series m=1 with p 0, m=2 cases., 11 pages

ECRYS 2005 International Workshop on Electronic Crystals; In Quantum Hall bilayers, at total filling factor one, a transition from a compressible phase with weak interlayer correlations to an incompressible phase with strong interlayer correlations is observed as the distance between the two layers is reduced. The transition between these two regimes can be understood using a trial wavefunction approach based on the composite particle picture.

By means of first-principles calculations, various properties of SrRuO3 are investigated, focusing on its lattice dynamical properties. Despite having a Goldschmidt tolerance factor very close to 1, the phonon dispersion curves of the high-temperature cubic phase of SrRuO3 show strong antiferrodistortive instabilities. The energetics of metastable phases with different tilt patterns are discussed, concluding that the coupling of oxygen-rotation modes with anti-polar Sr motion plays a key role in stabilizing the Pnma phase with respect to alternative rotation patterns. This not only explains the ground state of SrRuO3 but also contributes to rationalize why most ABO3 perovskites exhibit an orthorhombic ground state. The zone-center phonon modes of the Pnma phase have been computed, from which we propose partial reassignment of available experimental data. The full dispersion curves have also been obtained, constituting benchmark results for the interpretation of future measurements and providing access to thermodynamical properties., Comment: Also see LabTalk (http://iopscience.iop.org/0953-8984/labtalk-article/55704) and HighLight of 2014 (http://iopscience.iop.org/0953-8984/page/Highlights-of-2014)

We have studied the electronic structure of the ordered intermetallic compound Ti-Fe with CsCl structure and a corresponding hypothetical random solid solution on a bcc and CsCl lattice using comparable first-principles self-consistent calculations. The differences of the one-electron spectra en- able us to comment on the nature of bonding and the absence of disorder in this interesting system.