相关论文: Charge order, orbital order, and electron localiza…

Charge-order-driven ferroelectrics are an emerging class of functional materials, distinct from conventional ferroelectrics, where electron-dominated switching can occur at high frequency. Despite their promise, only a few systems…

Most metallic transition metal dichalcogenides undergo charge density wave (CDW) instabilities with similar or identical ordering vectors in bulk and in single layer, albeit with different critical temperatures. Metallic 1T-TiTe$_2$ is a…

Crystal structures of $\textrm{CLi}_4$ compounds are explored through \emph{ab} \emph{initio} evolutionary methodology. Phase transition from metal to semimetal and semiconductor, and eventually to insulator with increasing pressure are…

Metal-to-insulator transitions (MIT) can be driven by a number of different mechanisms, each resulting in a different type of insulator -- Change in chemical potential can induce a transition from a metal to a band insulator; strong…

Using one- and two-dimensional NMR spectroscopy applied to $^{13}$C spin-labeled (TMTTF)$_2$AsF$_6$ and (TMTTF)$_2$PF$_6$, we demonstrate the existence of an intermediate charge-ordered phase in the TMTTF family of charge-transfer salts. At…

A major challenge in condensed matter physics is integrating topological phenomena with correlated electron physics to leverage both types of states for next-generation quantum devices. Metal-insulator transitions (MITs) are central to…

Successive magnetic-field-induced charge-density-wave transitions in the molecular conductor $\alpha$-(BEDT-TTF)$_2$KHg(SCN)$_4$ are studied in the hydrostatic pressure regime, in which the zero field charge-density wave (CDW)state is…

First-order structural phase transition is a common phenomenon in materials that qualitatively alters their physical properties. Yet, the abrupt first-order nature is usually unexplained by realistic computations, implying an omission of…

We report the observation of metal-like to insulator transition (MTI) in the 3dpyrochlore oxide Tb2Ti2O7 at 603 K due to the interaction of empty 3d orbitals of Ti4+ with O2- ions, evidenced by the transition in resistivity. Magnetisation,…

Common substitutional isovalent semiconductor alloys usually form disordered metastable phases with positive excess formation enthalpies ({\Delta}H). In contrast, monolayer alloys of transition metal dichalcogenides (TMDs) MX2 (M = Mo, W; X…

The metal-insulator and spin state transitions of CoO under high pressure are studied by using density functional theory combined with dynamical mean-field theory. Our calculations predict that the metal-insulator transition in CoO is a…

A lightly doped perovskite mangantite La_{0.88}Sr_{0.12}MnO_3 exhibits a phase transition at T_{OO}=145 K from a ferromagnetic metal (T_C=172 K) to a novel ferromagnetic insulator.We identify that the key parameter in the transition is the…

Iron-titanium sulfides FeTi2S4 and Fe2TiS4 have been structurally and magnetically characterized using powder X Ray Diffraction with Rietveld refinement method and 57Fe M\"ossbauer spectroscopy at variable temperature. Both sulfides have…

It was recently discovered that in spite of the scalar nature of its order parameter, the charge order in 1T-TiSe2 can be chiral. This is made possible by the emergence of orbital order in conjunction with the charge density modulations.…

Topological phase transition in a single material usually refers to transitions between a trivial band insulator and a topological Dirac phase, but the transition may also occur between different classes of topological Dirac phases.…

The layered delafossite compound AgNiO$_2$ with $2H$ stacking symmetry undergoes a structural metal-to-metal transition at $T_{\rm S}\sim 365$ K. It has been described in the past as a charge-ordering transition, where local $S=1$ spins are…

The metal-insulator transition (MIT) is an exceptional test bed for studying strong electron correlations in two dimensions in the presence of disorder. In the present study, it is found that in contrast to previous experiments on…

Electronic structure of strongly correlated transition metal oxides (TMOs) is a complex phenomenon due to competing interaction among the charge, spin, orbital and lattice degrees of freedom. Often individual compounds are examined to…

We investigate the metal-to-insulator phase transition driven by the density-density electronic interaction in the quarter-filled model on a cubic lattice with two orbitals split by a crystal field. We show that a systematic consideration…

In view of the recent experimental predictions of a weak structural transition in CoV$_{2}$O$_{4}$ we explore the possible orbital order states in its low temperature tetragonal phases from first principles density functional theory…