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Simulating the incommensurate spin density waves (ISDW) states is not a simple task within the standard \emph{ab-initio} methods. Moreover, in the context of new material discovery, there is a need for fast and reliable tool capable to scan and optimize the total energy as a function of the pitch vector, thus allowing to automatize the search for new materials. In this paper we show how the ISDW can be efficiently obtained within the recently released $\Theta\Phi$ program. We illustrate this on an example of the single orbital Hubbard model and of $\gamma$-Fe, where the ISDW emerge within the mean-field approximation and by using the twisted boundary conditions. We show the excellent agreement of the $\Theta\Phi$ with the previously published ones and discuss possible extensions. Finally, we generalize the previously given framework for spin quantization axis rotation to the most general case of spin-dependent hopping matrix elements., Comment: 8 pages, 4 figures, to appear in Computational Materials Science

We have investigated magnetic and charge instabilities of the cuprates within the Gutzwiller approximation RPA (GA+RPA). Interestingly, in GA the dressed Hubbard U is not a single parameter, but has different forms in the spin and charge responses, with distinct doping dependencies. While there are a number of competing magnetic instabilities for hole-doped cuprates, we fail to find any purely electronic charge density waves. The dominant magnetic instabilities are associated with ‘double nesting’, and the phase diagrams are material dependent, with LSCO differing from other cuprates.

Relevance of the M\"ossbauer spectroscopy in the study of harmonically modulated electronic structures i.e. spin-density waves (SDWs) and charge-density waves (CDWs) is presented and discussed. First, the effect of various parameters pertinent to the SDWs and CDWs is outlined on simulated 119Sn spectra and distributions of the hyperfine field and the isomer shift. Next, various examples of the 119Sn spectra measured on single-crystals and polycrystalline samples of Cr and Cr-V are reviewed., Comment: 18 pages, 11 figures, 35 references

The present state of knowledge in the field of layered organic superconductors based on \kappa-(BEDT-TTF) is reviewed. Normal and ground states inside the temperature versus pressure phase diagram are discussed. The question of unconventional versus conventional uperconducting pairing is addressed.

The jellium model is a fundamental model in condensed matter. It is formed by a set of electrons and a uniform background insuring global neutrality. At zero temperature and without external field, the ground-state depends only on the electronic density. Despite its simplicity, the jellium ground-state is still an open problem. We studied the jellium model in 2 and 3 dimensions within the Hartree-Fock approximation using a numerical descent method. Assuming periodic states, we greatly reduce the number of unknowns and the system may contain up to one million of electrons. At fixed lattice symmetry and polarization, the ground-state is a Wigner crystal at low density, and a «metallic state» above a critical density value. These metallic states are crystals with a lattice constant smaller than in Wigner phase, and interpolate between the latter and the Fermi gas. The metallic states exists in two and three dimensions, for a polarized and unpolarized gas, and for various lattice symmetries. Therefore, the jellium phase diagram at zero temperature is rich : it contains several Wigner crystal phases at low density, polarized and unpolarized, and an unpolarized metallic state at high density. These states are well described by a superposition of spin-density waves, as predicted by Overhauser in 1962., Le modèle du jellium est l'un des modèles fondamentaux de la matière condensée.Il est constitué d'un ensemble d'électrons et d'un fond uniforme qui assure la neutralité globale.À température nulle et sans champ extérieur, la densité électronique est le seul paramètre du système.Malgré la simplicité de ce modèle, l'état fondamental du jellium en fonction de la densité reste un problème ouvert.Nous avons étudié le modèle du jellium à 2 et 3 dimensions dans l'approximation de Hartree-Fock par une méthode numérique de descente.En utilisant des états périodiques, le nombre d’inconnues est grandement réduit et le nombre d’électrons peut atteindre le million.À type de réseau et polarisation fixés, nous montrons que le système forme un cristal de Wigner à basse densité puis, au dessus d'une densité de transition, occupe des états «métalliques» caractérisés par une structure cristalline avec une maille plus petite que celle du cristal de Wigner.Les états métalliques interpolent entre le cristal de Wigner et le gaz de Fermi, ce dernier n'étant retrouvé qu'à densité infinie.Ce comportement se retrouve à deux et trois dimensions, pour un gaz polarisé et non polarisé, et pour les différents type de réseaux considérés dans nos travaux.Le diagramme de phase à deux ou trois dimensions est alors très riche et comprend à basse densité diverses phases «cristal de Wigner» avec des symétries et polarisations différentes.À haute densité, les états métalliques non-polarisées déstabilisent le cristal de Wigner et le gaz de Fermi. Ces états métalliques s’interprètent comme une superposition d’ondes de densité de spin, prédite par Overhauser en 1962.

We show that a variety of spectral features in high-T_c cuprates can be understood from the coupling of charge carriers to some kind of dynamical order which we exemplify in terms of fluctuating charge and spin density waves. Two theoretical models are investigated which capture different aspects of such dynamical scattering. The first approach leaves the ground state in the disordered phase but couples the electrons to bosonic degrees of freedom, corresponding to the quasi singular scattering associated with the closeness to an ordered phase. The second, more phenomological approach starts from the construction of a frequency dependent order parameter which vanishes for small energies. Both theories capture scanning tunneling microscopy and angle-resoved photoemission experiments which suggest the protection of quasiparticles close to the Fermi energy but the manifestation of long-range order at higher frequencies., 27 pages, 13 figures, to appear in New J. Phys

We calculate the optical and Raman response within a phenomenological model of fermion quasiparticles coupled to nearly critical collective modes. We find that, whereas critical scaling properties might be masked in optical spectra due to charge conservation, distinct critical signatures of charge and spin fluctuations can be detected in Raman spectra exploiting specific symmetry properties. We compare our results with recent experiments on the cuprates., 6 pages, 4 figures, Proceedings of the Conference SMEC 2007 - Study of Matter at Extreme Conditions, Miami 2007

Among many Bechgaard salts, TMTSF2NO3 exhibits very anomalous low temperature properties. Unlike conventional spin density wave (SDW), TMTSF2NO3 undergoes the SDW transition at $\T_SDW\approx 9.5$ K and the low temperature quasiparticle excitations are gapless. Also, it is known that TMTSF2NO3 does not exhibit superconductivity even under pressure, while FISDW is found in TMTSF2NO3 only for P=8.5 kbar and B>20 T. Here we shall show that both the angle dependent magnetoresistance data and the nonlinear Hall resistance of TMTSF2NO3 at ambient pressure are interpreted satisfactory in terms of unconventional spin density wave (USDW). Based on these facts, we propose a new phase diagram for Bechgaards salts., 4 pages, 4 figs, RevTeX

Magnetism of the simplest layered cobaltite ${\mathrm{Li}}_{x}{\mathrm{CoO}}_{2}$ with $x=1.0$, 0.95, and 0.7 has been investigated by positive muon spin rotation and relaxation $({\ensuremath{\mu}}^{+}\mathrm{SR})$ spectroscopy together with magnetic susceptibility measurements, using polycrystalline samples in the temperature range between 300 and 1.8 K. Weak transverse field ${\ensuremath{\mu}}^{+}\mathrm{SR}$ showed the appearance of magnetism below $\ensuremath{\sim}65\phantom{\rule{0.3em}{0ex}}\mathrm{K}\phantom{\rule{0.3em}{0ex}}(={T}_{c}^{\text{on}})$ for the sample with $x=1.0$. The volume fraction of the magnetic phase at 1.8 K is determined to be $\ensuremath{\sim}20%$ for ${\mathrm{LiCoO}}_{2}$, strongly suggesting that the observed magnetism is not induced by impurities but is an intrinsic behavior. This indicates that either a charge disproportionation $(2{\mathrm{Co}}^{3+}\ensuremath{\rightarrow}{\mathrm{Co}}^{2+}+{\mathrm{Co}}^{4+})$, a spin state transition $({t}_{2g}^{6}\ensuremath{\rightarrow}{t}_{2g}^{5}{e}_{g}^{1})$, or an appearance of magnetic ${\mathrm{Co}}^{3+}$ at surface occurs below 65 K. Zero field ${\ensuremath{\mu}}^{+}\mathrm{SR}$ spectra of ${\mathrm{LiCoO}}_{2}$ consist mainly of a slow relaxing signal due to random fields even at 1.8 K plus a small amount of a fast relaxing signal and an oscillating component, implying the presence of an antiferromagnetic order, as in the case of ${\mathrm{Na}}_{x}{\mathrm{CoO}}_{2}$ with $x\ensuremath{\geqslant}0.75$. For Li-deficient ${\mathrm{Li}}_{x}{\mathrm{CoO}}_{2}$ samples, ${T}_{c}^{\text{on}}$ decreases with decreasing $x$ from 50 K for $x=0.95$ to 25 K for $x=0.7$. The volume fraction of the magnetic phase is however almost independent of $x$ and is estimated as 20% at 1.8 K, but no oscillations were observed in the zero field spectrum.

The gauge invariant, two-component optical conductivity model, with a correlation gap structure related to the umklapp scattering processes, is applied to the quasi-one-dimensional electronic systems and compared to the recent measurements on the Bechgaard salt (TMTSF)_2PF_6. The optical response of both the insulating and metallic state is found for the half-filled conduction band, depending on the ratio between the correlation energy scale 2 \Delta^0_2 and the transfer integral in the direction perpendicular to the conducting chains, t_{{\rm b}'}. The estimated value 2 \Delta^0_2/t_{{\rm b}'} agrees reasonably well with the previous experimental and theoretical conclusions. Parallel to the chains the thermally activated conduction electrons in the insulating state are found to exhibit an universal behaviour, accounting for the observed single-particle optical conductivity of the ordered ground state of charge-density-wave systems. The band parameters and the related damping energies suitable to the normal metallic state of (TMTSF)_2PF_6 are estimated from the measured spectra. Not only the spectral weights but also the damping energies clearly indicate an opening of the correlation gap in the charge excitation spectrum, Comment: 11 pages, 7 figures

The low temperature phase (LTP) of α-(BEDT-TTF)_2KHg(SCN)_4 salt is known for its surprising angular dependent magnetoresistance (ADMR), which has been studied intensively in the last decade. However, the nature of the LTP has not been understood until now. Here we analyze theoretically ADMR in unconventional (or nodal) charge-density wave (UCDW). In magnetic field the quasiparticle spectrum in UCDW is quantized, which gives rise to spectacular ADMR. The present model accounts for many striking features of ADMR data in α-(BEDT-TTF)_2KHg(SCN)_4.

The low temperature phase (LTP) of alpha-(BEDT-TTF)2KHg(SCN)4 salt is known for its surprising angular dependent magnetoresistance (ADMR), which has been studied intensively in the last decade. However, the nature of the LTP has not been understood until now. Here we analyze theoretically ADMR in unconventional (or nodal) charge-density wave (UCDW). In magnetic field the quasiparticle spectrum in UCDW is quantized, which gives rise to spectacular ADMR. The present model accounts for many striking features of ADMR data in alpha-(BEDT-TTF)2KHg(SCN)4.

The phase diagram of the organic superconductor (TMTSF)_2PF_6 has been revisited using transport measurements with an improved control of the applied pressure. We have found a 0.8 kbar wide pressure domain below the critical point (9.43 kbar, 1.2 K) for the stabilisation of the superconducting ground state featuring a coexistence regime between spin density wave (SDW) and superconductivity (SC). The inhomogeneous character of the said pressure domain is supported by the analysis of the resistivity between T_{SDW} and T_{SC} and the superconducting critical current. The onset temperature T_{SC} is practically constant, 1.20 +/- 0.01 K, in this region where only the SC/SDW domain proportion below T_{SC} is increasing under pressure. An homogeneous superconducting state is recovered above the critical pressure with T_{SC} falling at increasing pressure. We propose a model comparing the free energy of a phase exhibiting a segregation between SDW and SC domains and the free energy of homogeneous phases which explains fairly well our experimental findings.

We have studied the current-voltage characteristics of the (TMTSF)2PF6 in the spin density state (SDW), and in zero and finite external magnetic field. For the oscillating part of the nonlinear voltage response to the applied DC electric field, the fundamental frequency distribution (as a function of this field) and a nonlinear relation between the frequency and the SDW current reveal the growth of parallel conduction channels characterized by lower velocities and larger cross-sections. The number of fundamental frequencies, their amplitude and the level of low-frequency noise as well as the depinning behaviour provide a consistent indication of the sample inhomogeneities and associated local field variations, and might be well understood within the framework of the phase slippage model. The increase of the threshold electric field with the applied magnetic filed can be explained by the Bjeli-Maki theory, if the imperfect nesting is taken into account. Finally, the electric-field dependence of the Hall resistivity is consistent with the sliding mechanism of the SDW conduction., Proučavali smo karakteristike napon – struja materijala (TMTSF)2PF6 u stanju valova spinske gustoće (SDW). Za oscilatorni dio nelinearnog naponskog odziva na istosmjerno električno polje, osnovna frekventna raspodjela (kao funkcija tog polja) i nelinearan odnos frekvencije i SDW struje pokazuju rast usporednih kanala vođenja označenih manjim brzinama i većim udarnim presjecima. Broj osnovnih frekvencija, njihove amplitude i razina niskofrekventnog šuma, kao i otkočno ponašanje sustavno pokazuju na nehomogenosti uzorka i pridružene varijacije lokalnog polja, i mogu se shvatiti u okviru modela klizne faze. Rast praga električnog polja s magnetskim poljem može se protumačiti Bjeliš-Makijevom teorijom, ako se uzme u obzir ugniježdenje. Konačno, nalazimo da je ovisnost Hallovog otpora o električnom polju u skladu s kliznim mehanizmom SDW vođenja struje.

We report the transverse magnetoresistance measurements at ambient pressure in the organic conductor (TMTTF)_2Br in the temperature range between 4.2 K and 40 K and in the magnetic fields up to 8.5 T. We have found isotropic, negative and temperature dependent magnetoresistance which becomes negligible, close to 40 K. We interpret the observed behaviour within the picure of strongly correlated quasi-one dimensional systems.