相关论文: Electronic and magnetic structure of CsV$_2$O$_5$

The electronic band structure of graphene in the presence of spin-orbit coupling and transverse electric field is investigated from first principles using the linearized augmented plane-wave method. The spin-orbit coupling opens a gap at…

We present a detailed analysis of light scattering experiments performed on the quarter-filled spin ladder compound $\alpha^\prime$-NaV$_{2}$O$_{5}$ for the temperature range 5 K$\le$T$\le$300 K. This system undergoes a phase transition…

The electronic and magnetic properties of transition metal oxyhalide compound Co2TeO3Cl2 is investigated using first principle calculations within the framework of density functional theory. In order to find underlying spin lattice of this…

We consider an electronic model for realizing the Spin Bose-metal (SBM) phase on a 2-leg triangular strip --a spin liquid phase found by D. N. Sheng et al [Phys. Rev. B {\bf 79}, 205112 (2009)] in a spin-1/2 model with ring exchanges. The…

The electronic structure of four ternary-metal oxides containing isolated vanadate ions is studied. Zircon-type YVO4, YbVO4, LuVO4, and NdVO4 are investigated by high-pressure optical-absorption measurements up to 20 GPa. First-principles…

We present the self-interaction corrected local spin density (SIC-LSD) electronic structure and total energy calculations, leading also to valencies of the ground state configurations, for the half-metallic double perovskites such as…

The magnetic structure of the spin-chain antiferromagnet SrCo2V2O8 is determined by single-crystal neutron diffraction experiment. The system undergoes magnetic long range order below T_N = 4.96 K. The moment of 2.16{\mu}_B per Co at 1.6 K…

We used single-crystal x-ray and neutron diffraction to investigate the crystal and magnetic structures of trigonal lattice iridate Ca2Sr2IrO6. The crystal structure is determined to be $R\bar3$ with two distinct Ir sites. The system…

We have investigated the electronic structure of iridates in the double perovskite crystal structure containing either Ir$^{4+}$ or Ir$^{5+}$ using hard x-ray photoelectron spectroscopy. The experimental valence band spectra can be well…

We consider a model of spin-gapped chains weakly coupled by Josephson and Coulomb interactions. Combining such non-perturbative methods as bosonization and Bethe ansatz to treat the intra-chain interactions with the Random Phase…

In this communication, we report a theoretical attempt to understand the involvement of electronic structure in determination of optical and thermal properties of C$_{17}$Ge germagraphene, a buckled two dimensional material. The structure…

Here, using density functional theory and density matrix renormalization group methods, we investigate the electronic and magnetic properties of RuOCl$_2$ and OsOCl$_2$ with $d^4$ electronic configurations. Different from a previous study…

We consider theoretically the electronic structure of quasi-two and quasi-one-dimensional heterostructures comprised of III-V and II-VI semiconductors such as InAs/GaInSb and HgCdTe. We show that not only a Dirac-like dispersion exists in…

We present our theoretical results on the electronic state in vanadium spinel oxide AlV$_2$O$_4$. The material is a mixed-valent system with the average valence V$^{2.5+}$, and V cations constitute a frustrated pyrochlore structure. It…

The materials with spin-polarized electronic states have attracted a huge amount of interest due to their potential applications in spintronics. Based on first-principles calculations, we study the electronic characteristics of a series of…

The effective spin-1/2 antiferromagnetic Heisenberg-Ising chain materials, ACo$_2$V$_2$O$_8$, A = Sr, Ba, are a rich source of exotic fundamental phenomena and have been investigated for their model magnetic properties both in zero and…

The Co-doped anatase TiO$_{2}$, a recently discovered room-temperature ferromagnetic insulator, has been studied by the first-principles calculations in the pseudo-potential plane-wave formalism within the local-spin-density approximation…

We show that the proposed zig--zag charge--ordering model for alpha'--NaV2O5 is incompatible with a single transition that induces both charge--ordering and spin gap. We introduce a two--band model for alpha'--NaV2O5 within which the…

While non-nitride III-V semiconductors typically have a zincblende structure, they may also form wurtzite crystals under pressure or when grown as nanowhiskers. This makes electronic structure calculation difficult since the band structures…

We investigate the electronic, magnetic and orbital properties of La0.5Ca0.5MnO3 perovskite by means of an ab initio electronic structure calculation within the Hartree-Fock approximation. Using the experimental crystal structure reported…