相关论文: Three-orbital study on the orbital distillation ef…

Pressure effect is overviewed for the cuprates and carbon-based superconductors, with an emphasis on how their orbital characters are modified by pressure. For the high-Tc cuprates, we start from an observation for ambient pressure that, on…

High-temperature cuprate superconductors have been known to exhibit significant pressure effects. In order to fathom the origin of why and how Tc is affected by pressure, we have recently studied the pressure effects on Tc adoptig a model…

The origin of uniaxial and hydrostatic pressure effects on $T_c$ in the single-layered cuprate superconductors is theoretically explored. A two-orbital model, derived from first principles and analyzed with the fluctuation exchange…

By constructing $d_{x^2-y^2}-d_{z^2}$ two-orbital models from first principles, we have obtained a systematic correlation between the Fermi surface warping and the evaluated $T_c$ for various bilayer as well as single-layer cuprates. This…

The single-site dynamical mean-field approximation is used to solve a model of high-Tc cuprate superconductors which includes both d_{x^2-y^2} and d_{3z^2-r^2} orbitals on the Cu as well as the relevant oxygen states. Both T (with apical…

In order to understand the material dependence of $T_c$ within the single-layered cuprates, we study a two-orbital model that considers both $d_{x^2-y^2}$ and $d_{z^2}$ orbitals. We reveal that a hybridization of $d_{z^2}$ on the Fermi…

Using the dx2-y2+dz2 two orbital model of the high Tc cuprates obtained from the first-principle calculation, we show that the material dependence of the Fermi surface shape can be understood by the degree of the mixture between the dx2-y2$…

In order to explore the reason why the single-layered cuprates, La$_{2-x}$(Sr/Ba)$_x$CuO$_4$ ($T_c\simeq$ 40K) and HgBa$_2$CuO$_{4+\delta}$ ($T_c\simeq$ 90K), have such a significant difference in $T_c$, we study a two-orbital model that…

The minimal ingredients to explain the essential physics of layered copper-oxide (cuprates= materials remains heavily debated. Effective low energy single-band models of the copper-oxygen orbitals are widely used because there exists no…

The electronic states near the Fermi level of recently discovered superconductor Ba$_2$CuO$_{4-\delta}$ consist primarily of the Cu $d_{x^2-y^2}$ and $d_{3z^2-r^2}$ orbitals. We investigate the electronic correlation effect and the orbital…

The structural and electronic properties of La$_{2-x}$Ba$_x$CuO$_4$ were investigated as a function of Ba-concentration $0 \leq x \leq 1.2$, within the virtual crystal approximation (VCA) by means of first-principles total-energy…

We show that the strong hybridization between the iron 3d and the arsenic 4p orbitals, in the newly discovered iron-based high-T$_{c}$ superconductors, leads to an explanation of certain experimental observations that are presently not well…

Several spin systems with low dimensionality develop a spin-dimer phase within a molecular orbital below TS, competing with long-range antiferromagnetic order. Very often, preferential orbital occupancy and ordering are the actual driving…

We report that due to the orbital Hall effect, orbital pumping effects can occur in materials with weak spin-orbit coupling. Moreover, there is a positive correlation between the strength of the orbital Hall effect and the size of…

In Ca2RuO4, the competition of spin-orbit coupling $\zeta$ and tetragonal crystal field splitting $\Delta_{CF}$ has been discussed controversially for many years. The orbital occupation depends on $\Delta_{CF}/\zeta$, which allows us to…

The effect of hydrostatic pressure on the electronic structures of iron pnictide superconducting compounds LiFeAs and NaFeAs through density functional theory based first principles studies are presented, using the predicted crystal…

Using the local density approximation and its combination with dynamical mean-field theory, we show that electronic correlations induce a single-sheet, cuprate-like Fermi surface for hole-doped 1/1 LaNiO3 /LaAlO3 heterostructures, even…

Oxygen doping dimples the CuO_2 planes of YBa_2Cu_3O_{6.8-6.92} by displacing copper normal to the planes and further towards Ba. The correlated oxygen displacements, however, are constrained to the in-plane axes. This displacement pattern…

We investigate the role of correlations in the tetragonal and collapsed tetragonal phases of CaFe2As2 by performing charge self-consistent DFT+DMFT (density functional theory combined with dynamical mean-field theory) calculations. While…

We report a combined x-ray absorption (XAS) and oxygen $K$-edge resonant inelastic x-ray scattering (RIXS) study of charge order in underdoped La$_{2-x}$Sr$_x$CuO$_4$ ($x=0.125$) under uniaxial $c$-axis pressure. We find that compressive…