相关论文: Charge order, orbital order, and electron localiza…
We study structurally-triggered metal-insulator transition in CaCu$_3$Fe$_4$O$_{12}$ by means of local density approximation (LDA) +$U$ and LDA+dynamical mean-field theory (DMFT). The ferrimagnetic insulating phase is essentially the same…
In this overview we provide a general introduction to metal-insulator transitions, with focus on specific mechanisms that can localize the electrons in absence of magnetic or charge ordering, and produce well defined quantum critical…
The microscopic mechanism of the hydrogen-induced metal-insulator transition in SmNiO$_3$ is clarified by means of density-functional theory with the Hubbard U correction. While 100% of hydrogen doping per Ni atom has been supposed to be…
The metal-insulator transition observed in the In/Si(111)-4x1 reconstruction is studied by means of ab initio calculations of a simplified model of the surface. Different surface bands are identified and classified according to their origin…
The interplay between superconductivity (SC) and spin/charge density wave (DW) in organic metals shows many similarities to high-$T_c$ superconductors. It also contains many puzzles, for example, the anisotropic SC onset observed and the…
Metal-insulator transitions involve a mix of charge, spin, and structural degrees of freedom, and when strongly-correlated, can underlay the emergence of exotic quantum states. Mott insulators induced by the opening of a Coulomb gap are an…
Vanadium spinels (ZnV_2O_4, MgV_2O_4, and CdV_2O_4) exhibit a sequence of structural and magnetic phase transitions, reflecting the interplay of lattice, orbital, and spin degrees of freedom. We offer a theoretical model taking into account…
We have studied spin density wave (SDW) phase transitions in dimerized quarter-filled Hubbard chains weakly coupled via interchain one-particle hopping, $t_{b0}$. It is shown that there exists a critical value of $t_{b0}$, $t_{b}^\ast$,…
The emergence of a charge density wave (CDW) in a Weyl semimetal -- a correlated topological phase, is exceptionally rare in condensed matter systems. In this context, the quasi-one-dimensional type-III Weyl semimetal (TaSe$_4$)$_2$I…
La$_{3}$Ni$_{2}$O$_{7}$ has garnered widespread interest recently due to its high-temperature superconductivity under pressure, accompanied by charge density wave (CDW) ordering and metal-insulator (MI) transitions in the phase diagram.…
We study the metal-insulator transition accompanied with a charge ordering in the one-dimensional (1D) t-J' model at quarter filling by the density matrix renormalization group method. In this model the nearest-neighbor hopping energy t…
The Verwey phase transition in magnetite has been analyzed using the group theory methods. It is found that two order parameters with the symmetries $X_3$ and $\Delta_5$ induce the structural transformation from the high-temperature cubic…
Using an \textit{ab initio} approach based on the GW approximation which includes strong local \textbf{k}-space correlations, the Metal-Insulator Transition of M$_2$ vanadium dioxide is broken down into its component parts and investigated.…
We utilize a glass-like structural transition in order to induce a Mott metal-insulator transition in the quasi-two-dimensional organic charge-transfer salt $\kappa$-(BEDT-TTF)$_2$Cu[N(CN)$_2$]Br. In this material, the terminal ethylene…
Motivated by the recent discovery of unconventional charge order, we develop a theory of electronically mediated charge density wave formation in the family of kagome metals $A$V$_3$Sb$_5$ ($A=$K,Rb,Cs). The intertwining of van Hove filling…
The role of orbital ordering on metal-insulator transition of transition-metal oxides is investigated by the cluster self-consistent field approach in the strong correlation regime. A clear dependence of the insulating gap on the orbital…
The optical properties of a V4O7 single crystal have been investigated from the high temperature metallic phase down to the low temperature antiferromagnetic insulating one. The temperature dependent behavior of the optical conductivity…
Dimension reduction due to the orbital ordering has recently been proposed to explain the exotic charge, magnetic and structural transitions in some three-dimensional (3D) transitional metal oxides. We present optical measurement on a…
The crystal structure of Fe3O4 below the 122 K Verwey transition has been refined using high-resolution X-ray and neutron powder diffraction data. The refinements give direct evidence for charge ordering (CO) over four independent…
In the R1/2D1/2MnO3 manganites (R: rare earth, D: divalent cation), the structural phase transition at Tco is commonly interpreted as a concomitant charge and orbital ordering (CO/OO) process driven by a cooperative Jahn-Teller effect and…