相关论文: Zigzag chain structure transition and orbital fluc…

We analyze a model for electronic structure and interactions in twisted transition metal chalcogenide WSe$_2$ for superconductivity. In this material, spin-orbit scattering locks the z-components of spins of low-energy fermions near the…

We generalize to magnetic transition metals the approach proposed by Choi and Ihm for calculating the complex band structure of periodic systems, a key ingredient for future calculations of conductivity of an open quantum system within the…

Magnetic fluctuations in the molecular-intercalated FeSe superconductor Li{x}(ND2){y}(ND3){1-y}Fe2Se2 (Tc = 43K) have been measured by inelastic neutron scattering from a powder sample. The strongest magnetic scattering is observed at a…

Using \textit{ab initio} calculation, we investigate systematically the structural and electronic properties of Ni$_{2}$Nb$_{1+x}$Sn$_{1-x}$ ($x$ = 0, 0.25, 0.50). Here, projector augmented wave approach (PAW) implemented in the Vienna…

The recent transport measurement of La$_3$Ni$_2$O$_7$ uncover a "right-triangle" shape of the superconducting dome in the pressure-temperature (P-T) phase diagram. Motivated by this, we perform theoretical first-principles studies of…

We have calculated the one-electron susceptibility of hydrated NaxCoO2 and find strong nesting nearly commensurate with a 2X2 superstructure. The nesting involves about 70% of all electrons at the Fermi level and is robust with respect to…

The electronic structure of BaTi2As2O, a parent compound of the newly discovered titanium-based oxypnictide superconductors, is studied by angle-resolved photoemission spectroscopy. The electronic structure shows multi-orbital nature and…

The mechanism of superconductivity in Pr$_2$Ba$_4$Cu$_7$O$_{15-\delta}$ is studied using a quasi-one dimensional double chain model with appopriate hopping integrals, on-site $U$, and off-site repulsion $V_1$. Applying the fluctuation…

We have combined large-scale, $\Gamma$-point electronic-structure calculations with the maximally-localized Wannier functions approach to calculate efficiently the band structure and the quantum conductance of complex systems containing…

The local atomic structure of superconducting NdO$_{1-x}$F$_{x}$BiS$_{2}$ ($x$=0.2 and 0.4) is investigated using neutron diffraction and the pair density function analysis technique. In the non-superconducting $x$=0.2 composition,…

Relying on the inhomogeneous (layered) crystal, electronic, and magnetic structure, we show how superconductivity can coexist with the ferromagnetic phase of RuSr2GdCu2O8 as observed by Tallon and coworkers. Since the Cu d_{x^2-y^2}…

The discovery of $T_c\sim 80$~K superconductivity in pressurized La$_3$Ni$_2$O$_7$ has launched a new platform to study high-temperature superconductivity. Using non-perturbative dynamic cluster approximation quantum Monte Carlo…

We report measurements on Ti$_4$MnBi$_2$, where a crystal structure involving linear chains of Mn ions suggests one-dimensional magnetic character. The electrical resistivity is metallic, consistent with the results of electronic structure…

We examine theoretically the superconducting state of BaFe$_2$(As$_{1-x}$P$_x$)$_2$, an isovalent doping 122 iron pnictide superconductor. We construct a three dimensional ten orbital model from first principles band calculation, and…

The role of orbital differentiation on the emergence of superconductivity in the Fe-based superconductors remains an open question to the scientific community. In this investigation, we employ a suitable microscopic spin probe technique,…

Effective models are constructed for a newly discovered superconductor (Nd,Sr)NiO2, which has been considered as a possible nickelate analogue of the cuprates owing to the d9 electron configuration. Estimation of the effective interaction,…

We investigate the pairing symmetry in the novel superconductor La$_3$Ni$_2$O$_7$ under pressure by the non-perturbative variational quantum Monte Carlo. Within the bilayer Hubbard model and extended $t-J$ model with two orbitals in the…

We report electronic structure calculations for BaTi$_2$Sb$_2$O and discuss the results in relation to the observed superconductivity of this material when hole doped with Na. The Fermi surface shows several sheets. These include a nested…

The superconducting, transport, and structural properties of optimally electron-doped BaFe$_{1.9}$Ni$_{0.1}$As$_{2}$ are investigated by combining the electrical resistance and synchrotron X-ray diffraction measurements at high pressures.…

An unusual successive phase transition from superconducting (SC) to antiferromagnetic (AF) phases was discovered via ^{75}As and ^{27}Al nuclear magnetic resonance (NMR) in (Fe_2As_2)(Ca_6(Al, Ti)_4O_y) with four (Al, Ti)O layers…