相关论文: The electronic structure and the phases of BaVS3
The quasi-one-dimensional metallic system BaVS3 with a metal-insulator transition at T_MI=70 K shows large changes of the optical phonon spectrum, a central peak, and an electronic Raman scattering continuum that evolve in a three-step…
The correlated 3d sulphide BaVS_3 is a most interesting compound because of the apparent coexistence of one-dimensional and three-dimensional properties. Our experiments explain this puzzle and shed new light on its electronic structure.…
The electronic structure of the quasi-lowdimensional vanadium sulfide \bavs3 is investigated for the different phases above the magnetic ordering temperature. By means of density functional theory and its combination with dynamical-mean…
The correlation-driven metal-insulator transition (MIT) of BaVS$_3$ was studied by polarized infrared spectroscopy. In the metallic state two types of electrons coexist at the Fermi energy: The quasi 1D metallic transport of $A_{1g}$…
We investigate the electronic structure of BaIrO3, an interesting compound exhibiting charge density wave transition in its insulating phase and ferromagnetic transition at the same temperature, using full potential linearized augmented…
We study the high-pressure metallic phase of high-purity single crystals of BaVS$_3$ by measuring the temperature, pressure, and magnetic field dependence of the resistivity. Above the critical pressure of $p_{\rm cr}=1.97$GPa an extended…
BaFe$_2$S$_3$ is a quasi one-dimensional Mott insulator that orders antiferromagnetically below 117(5)\,K. The application of pressure induces a transition to a metallic state, and superconductivity emerges. The evolution of the magnetic…
A sequence of structural transitions occurring in the quasi-one-dimensional (1D) 3d1 system BaVS3 at low temperature was investigated by high resolution synchrotron X-ray diffraction. The orthorhombic Cmc21 structure of the…
The correlated 3d sulphide BaVS3 undergoes a sequence of three symmetry breaking transitions which are reflected in the temperature dependence of the magnetic susceptibility, and its anisotropy. We introduce a microscopic model based on the…
Albeit structurally and electronically very similar, at low temperature the quasi-one-dimensional vanadium sulfide BaVS3 shows a metal-to-insulator transition via the appearance of a charge-density-wave state, while BaVSe3 apparently…
The 3d electronic structure and phase transition in pure and Cr doped V2O3 are theoretically investigated in relation to the 3d spin-orbit interaction and lattice distortion. A model consisting of the nearest-neighbor V ion pair with full…
We carried out magnetotransport experiments under hydrostatic pressure in order to study the nature of the metal-insulator transition in BaVS$_3$. Scaling relations for $\rho(T,H,p)$ are established and the pressure dependence of the spin…
We present a lattice model to study the equilibrium phase diagram of ordered alloys with one magnetic component that exhibits a low temperature phase separation between paramagnetic and ferromagnetic phases. The model is constructed from…
First principles calculations were performed to study the ground state electronic properties of BaFeO3 (BFO) within the density functional theory (DFT). Adopting generalized gradient approximation (GGA) exchange and correlation functional…
By systematic first-principles calculations, we study the electronic structure and magnetic property of SrCrO$_3$. Our results suggest that SrCrO$_3$ is a weakly correlated antiferromagnetic (AF) metal, a very rare situation in…
Low dimensional magnetism has been powerfully boosted as a promising candidate for numerous applications. The stability of the long-range magnetic order is directly dependent on the electronic structure and the relative strength of the…
Quasi-one-dimensional iron-based ladders and chains, with the 3$d$ iron electronic density $n = 6$, are attracting considerable attention. Recently, a new iron chain system Ba$_2$FeS$_3$, also with $n = 6$, was prepared under high-pressure…
Using angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT) calculations, we systematically studied the electronic band structure of Mn$_3$Ge in the vicinity of the Fermi level. We observe several bands…
Since electronic and magnetic properties of many transition-metal oxides can be efficiently controlled by external factors such as the temperature, pressure, electric or magnetic field, they are regarded as promising materials for various…
We show that the layered-structure BaCuS$_2$ is a moderately correlated electron system in which the electronic structure of the CuS layer bears a resemblance to those in both cuprates and iron-based superconductors. Theoretical…