相关论文: Electronic and magnetic structure of CsV$_2$O$_5$
Measurements of the static magnetic susceptibility and of the nuclear magnetic resonance of multiwalled vanadium-oxide nanotubes are reported. In this nanoscale magnet the structural low-dimensionality and mixed valency of vanadium ions…
Altermagnetism generates exchange-type spin splitting without net magnetization and, in its $\it d$-wave form, resembles the angular symmetry of unconventional $\it d$-wave superconductivity. Whether this correspondence bears directly on…
Spin-orbit coupling and breaking of inversion symmetry are necessary ingredients to enable a pure spin current-based manipulation of the magnetization via the spin-orbit torque effect. Currently, magnetic insulator oxides with…
Electronic structure calculation were used to predict a new material for spintronic applications. Co2Mn0.5Fe0.5Si is one example which is stable against on-site correlation and disorder effects due to the position of the Fermi energy in the…
A combined theoretical and experimental study of the natural Cu(2+)-mineral callaghanite is presented. Its crystal structure features well separated Cu$_2$(OH)$_6$ structural dimers with weakly bonded carbonate groups and water molecules in…
The recently discovered kagome superconductor CsV$_3$Sb$_5$ ($T_c \simeq 2.5$ K) has been found to host charge order as well as a non-trivial band topology, encompassing multiple Dirac points and probable surface states. Such a complex and…
NaOsO3 hosts a rare manifestation of a metal-insulator transition driven by magnetic correlations, placing the magnetic exchange interactions in a central role. We use resonant inelastic x-ray scattering to directly probe these magnetic…
Based on first principles calculations, the electronic structure of CuTeO$_4$ is discussed in the context of superconducting cuprates. Despite some significant crystallographic differences, we find that CuTeO$_4$ is similar to these…
In the light of recent interesting experimental work on MgV$_2$O$_4$ we employ the density functional theory to investigate the crucial role played by different interaction parameters in deciding its electronic and magnetic properties. The…
Magnetic excitations in an array of (VO)_2P_2O_7 single crystals have been measured using inelastic neutron scattering. Until now, (VO)_2P_2O_7 has been thought of as a two-leg antiferromagnetic Heisenberg spin ladder with chains running in…
Iridium oxides (iridates) provide a good platform to study the delicate interplay between spin-orbit coupling (SOC) interactions, electron correlation effects, Hund's coupling and lattice degree of freedom. However, overwhelming…
The electronic band structure of CeAgSb$_{2}$ has been calculated using the self-consistent full potential nonorthogonal local orbital minimum basis scheme based on the density functional theory. We investigated the electronic structure…
Recent experiments have revealed anisotropic multi-gap superconductivity in the kagome metal CsV3Sb5. However, the impact of multi-orbital character and electron-phonon coupling (EPC) on the multiple superconducting gaps remains not fully…
Competing magnetic interactions in low-dimensional quantum magnets can lead to the exotic ground state with fractionalized excitations. Herein, we present our results on an S = 5/2 quasi-one-dimensional spin system Bi3FeMo2O12. The…
We explore the electronic and magnetic properties of NH$_4^+$-intercalated vanadium pentoxide (NH$_4^+$-V$_2$O$_5$), a material that has been identified as a promising cathode for aqueous zinc-ion batteries. Density Functional Theory (DFT)…
In this study, we present non-linear spin wave analysis of a quasi 2D spin-$\frac{1}{2}$ $J_1-J_2$ antiferromagnet at the parameter regime relevant for the recently studied compound $Zn_2VO(PO_4)_2$. We obtain the temperature dependence of…
We present microscopic estimates for the spin-spin and spin-speudospin interactions of the quarter-filled ladder compound NaV2O5, obtained by exactly diagonalizing appropriate clusters of the underlying generalized Hubbard Hamiltonian. We…
Magnetic excitations in an array of (VO)2P2O7 single crystals have been measured using inelastic neutron scattering. Until now, (VO)2P2O7 has been thought of as a two-leg antiferromagnetic Heisenberg spin ladder with chains running in the…
We study a novel S=1/2 cluster chain Hamiltonian which has recently been proposed in the context of the charge ordered low-temperature phase of alpha'-NaV2O5. We perform a detailed investigation of this model within a large range of…
Density functional calculations are used to study magnetic and electronic properties of the spinel ferrites, ZnFe$_2$O$_4$ and MnFe$_2$O$_4$. Correct magnetic orderings are obtained. ZnFe$_2$O$_4$ is predicted to be a small gap insulator in…