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We perform a theoretical study of the electronic structure and magnetic properties of the prototypical magnetic MAX-phase Mn$_2$GaC with the main focus given to the origin of magnetic interactions in this system. Using the density functional theory+dynamical mean-field theory (DFT+DMFT) method we explore the effects of electron-electron interactions and magnetic correlations on the electronic properties, magnetic state, and spectral weight coherence of paramagnetic and magnetically-ordered phases of Mn$_2$GaC. We also benchmark the DFT-based disordered local moment approach for this system by comparing the obtained electronic and magnetic properties with that of the DFT+DMFT method. Our results reveal a complex magnetic behavior characterized by a near degeneracy of the ferro- and antiferromagnetic configurations of Mn$_2$GaC, implying a high sensitivity of its magnetic state to fine details of the crystal structure and unit-cell volume, consistent with experimental observations. We observe robust local-moment behavior and orbital-selective incoherence of the spectral properties of Mn$_2$GaC, implying the importance of orbital-dependent localization of the Mn $3d$ states. We find that Mn$_2$GaC can be described in terms of local magnetic moments, which may be modeled by DFT with disordered local moments. However, the magnetic properties are dictated by the proximity to the regime of formation of local magnetic moments, in which the localization is in fact driven by the Hund's exchange interaction, and not the Coulomb interaction.

MXenes are a rapidly growing family of 2D materials that exhibit a highly versatile structure and composition, allowing for significant tuning of the material properties. These properties are, however, ultimately limited by the surface terminations, which are typically a mixture of species, including F and O that are inherent to the MXene processing. Other and robust terminations are lacking. Here, we apply high-resolution scanning transmission electron microscopy (STEM), corresponding image simulations and first-principles calculations to investigate the surface terminations on MXenes synthesized from MAX phases through Lewis acidic melts. The results show that atomic Cl terminates the synthesized MXenes, with mere residual presence of other termination species. Furthermore, in situ STEM-electron energy loss spectroscopy (EELS) heating experiments show that the Cl terminations are stable up to 750 {\deg}C. Thus, we present an attractive new termination that widely expands the MXenes functionalization space and enable new applications., Comment: 14 pages, 4 figures, 5 pages supplemental info

Needle shape, diameter, and path are critical parameters that directly affect suture depth and tissue trauma in autonomous suturing. This paper presents an optimization-based approach to specify these parameters. Given clinical suturing guidelines, a kinematic model of needle-tissue interaction was developed to quantify suture parameters and constraints. The model was further used to formulate constant curvature needle path planning as a nonlinear optimization problem. The optimization results were confirmed experimentally with the Raven II surgical system. The proposed needle path planning algorithm guarantees minimal tissue trauma and complies with a wide range of suturing requirements., Comment: 2 pages, 2 figures, 2017 SoCal Robotics Symposium

In search of the potential realization of novel normal-state phases on the surface of Sr2RuO4 - those stemming from either topological bulk properties or the interplay between spin-orbit coupling (SO) and the broken symmetry of the surface - we revisit the electronic structure of the top-most layers by ARPES with improved data quality as well as ab-initio LDA slab calculations. We find that the current model of a single surface layer (\surd2x\surd2)R45{\deg} reconstruction does not explain all detected features. The observed depth-dependent signal degradation, together with the close quantitative agreement with LDA+SO slab calculations based on the LEED-determined surface crystal structure, reveal that (at a minimum) the sub-surface layer also undergoes a similar although weaker reconstruction. This points to a surface-to-bulk progression of the electronic states driven by structural instabilities, with no evidence for Dirac and Rashba-type states or surface magnetism., Comment: 4 pages, 4 figures, 1 table. Further information and PDF available at: http://www.phas.ubc.ca/~quantmat/ARPES/PUBLICATIONS/articles.html

We study Na2IrO3 by ARPES, optics, and band structure calculations in the local-density approximation (LDA). The weak dispersion of the Ir 5d-t2g manifold highlights the importance of structural distortions and spin-orbit coupling (SO) in driving the system closer to a Mott transition. We detect an insulating gap {\Delta}_gap = 340 meV which, at variance with a Slater-type description, is already open at 300 K and does not show significant temperature dependence even across T_N ~ 15 K. An LDA analysis with the inclusion of SO and Coulomb repulsion U reveals that, while the prodromes of an underlying insulating state are already found in LDA+SO, the correct gap magnitude can only be reproduced by LDA+SO+U, with U = 3 eV. This establishes Na2IrO3 as a novel type of Mott-like correlated insulator in which Coulomb and relativistic effects have to be treated on an equal footing., Comment: Accepted in Physical Review Letters. Auxiliary and related material can be found at: http://www.phas.ubc.ca/~quantmat/ARPES/PUBLICATIONS/articles.html

Neutron and x-ray scattering experiments have provided mounting evidence for spin and charge ordering phenomena in underdoped cuprates. These range from early work on stripe correlations in Nd-LSCO to the latest discovery of charge-density-waves in YBCO. Both phenomena are characterized by a pronounced dependence on doping, temperature, and an externally applied magnetic field. Here we show that these electron-lattice instabilities exhibit also a previously unrecognized bulk-surface dichotomy. Surface-sensitive electronic and structural probes uncover a temperature-dependent evolution of the CuO2 plane band dispersion and apparent Fermi pockets in underdoped Bi2201, which is directly associated with an hitherto-undetected strong temperature dependence of the incommensurate superstructure periodicity below 130K. In stark contrast, the structural modulation revealed by bulk-sensitive probes is temperature independent. These findings point to a surface-enhanced incipient charge-density-wave instability, driven by Fermi surface nesting. This discovery is of critical importance in the interpretation of single-particle spectroscopy data and establishes the surface of cuprates and other complex oxides as a rich playground for the study of electronically soft phases., Comment: A high-resolution version with supplementary material can be found at http://www.physics.ubc.ca/~quantmat/ARPES/PUBLICATIONS/Articles/Bi2201_PG_Q2.pdf

The electronic structure of Bi2Se3 is studied by angle-resolved photoemission and density functional theory. We show that the instability of the surface electronic properties, observed even in ultra-high-vacuum conditions, can be overcome via in-situ potassium deposition. In addition to accurately setting the carrier concentration, new Rashba-like spin-polarized states are induced, with a tunable, reversible, and highly stable spin splitting. Ab-initio slab calculations reveal that these Rashba state are derived from the 5QL quantum-well states. While the K-induced potential gradient enhances the spin splitting, this might be already present for pristine surfaces due to the symmetry breaking of the vacuum-solid interface., Comment: A high-resolution version can be found at http://www.physics.ubc.ca/~quantmat/ARPES/PUBLICATIONS/Articles/BiSe_K.pdf

Reply to comment by Zhou et al. (arXiv:1012.3602) on arXiv:1012.1484 / Phys. Rev. Lett. 106, 127005 (2011)., Comment: 2 pages

We observe apparent hole pockets in the Fermi surfaces of single-layer Bi-based cuprate superconductors from angle-resolved photoemission (ARPES). From detailed low-energy electron diffraction measurements and an analysis of the ARPES polarization-dependence, we show that these pockets are not intrinsic, but arise from multiple overlapping superstructure replicas of the main and shadow bands. We further demonstrate that the hole pockets reported recently from ARPES [Meng et al, Nature 462, 335 (2009)] have a similar structural origin, and are inconsistent with an intrinsic hole pocket associated with the electronic structure of a doped CuO$_2$ plane. The nature of the Fermi surface topology in the enigmatic pseudogap phase therefore remains an open question., Comment: 5 pages, 4 figures

Minimal models are developed to examine the origin of large negative thermal expansion (NTE) in under-constrained systems. The dynamics of these models reveals how underconstraint can organize a thermodynamically extensive manifold of low-energy modes which not only drives NTE but extends across the Brillioun zone. Mixing of twist and translation in the eigenvectors of these modes, for which in ZrW2O8 there is evidence from infrared and neutron scattering measurements, emerges naturally in our model as a signature of the dynamics of underconstraint., Comment: 5 pages, 3 figures

We study functionals of the form \[\zeta_{t}=\int_0^{t}...\int_0^{t} | X_1(s_1)+...+ X_p(s_p)|^{-\sigma}ds_1... ds_p\] where $X_1(t),..., X_p(t)$ are i.i.d. $d$-dimensional symmetric stable processes of index $0<\bb\le 2$. We obtain results about the large deviations and laws of the iterated logarithm for $\zeta_{t}$.

We present new precision measurements of the psi(2S) total and partial widths from excitation curves obtained in antiproton-proton annihilations by Fermilab experiment E835 at the Antiproton Accumulator in the year 2000. A new technique of complementary scans was developed to study narrow resonances with stochastically cooled antiproton beams. The technique relies on precise revolution-frequency and orbit-length measurements, while making the analysis of the excitation curve almost independent of machine lattice parameters. We study the psi(2S) meson through the processes pbar p -> e+ e- and pbar p -> J/psi + X -> e+ e- + X. We measure the width to be Gamma = 290 +- 25(sta) +- 4(sys) keV and the combination of partial widths Gamma_e+e- * Gamma_pbarp / Gamma = 579 +- 38(sta) +- 36(sys) meV, which represent the most precise measurements to date., Comment: 17 pages, 3 figures, 3 tables. Final manuscript accepted for publication in Phys. Lett. B. Parts of the text slightly expanded or rearranged; results are unchanged

We study the set of probability distributions visited by a continuous-time quantum walk on graphs. An edge-weighted graph G is universal mixing if the instantaneous or average probability distribution of the quantum walk on G ranges over all probability distributions on the vertices as the weights are varied over non-negative reals. The graph is uniform mixing if it visits the uniform distribution. Our results include the following: (a) All weighted complete multipartite graphs are instantaneous universal mixing. This is in contrast to the fact that no unweighted complete multipartite graphs are uniform mixing (except for the four-cycle). (b) The weighted claw or star graph is a minimally connected instantaneous universal mixing graph. In fact, as a corollary, the unweighted claw is instantaneous uniform mixing. This adds a new family of uniform mixing graphs to a list that so far contains only the hypercubes. (c) Any weighted graph is average almost-uniform mixing unless its spectral type is sublinear in the size of the graph. This provides a nearly tight characterization for average uniform mixing on circulant graphs. (d) No weighted graphs are average universal mixing. This shows that weights do not help to achieve average universal mixing, unlike the instantaneous case. Our proofs exploit the spectra of the underlying weighted graphs and path collapsing arguments., Comment: 14 pages, 4 figures

We have measured several branching ratios for $\psi^\prime$ decay using the data collected by FNAL E835 experiment during year 2000, obtaining ${\cal B}(\psi^\prime \to e^+ e^-) = 0.0068\pm0.0001\pm0.0004$, ${\cal B}(\psi^\prime \to J/\psi \pi^+ \pi^-) = 0.292\pm0.005\pm0.018$, ${\cal B}(\psi^\prime \to J/\psi \pi^0 \pi^0) = 0.167\pm0.005\pm0.014$ and ${\cal B}(\psi^\prime \to J/\psi \eta) = 0.028\pm0.002\pm0.002$. We also present a measurement of the dipion mass distribution in the decays $\psi^\prime \to J/\psi \pi \pi$.