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Strain and spin-orbit coupling induced orbital ordering in the Mott insulator BaCrO 3
Using ab initio calculations, we have investigated an insulating tetragonally distorted perovskite BaCrO$_3$ with a formal $3d^2$ configuration, the volume of which is apparently substantiallyExpand
Two-band Conduction and Nesting Instabilities in Superconducting Ba2CuO3+δ: a First Principles Study
First principles investigations of the high temperature superconducting system Ba2CuO3+δ, recently discovered at δ ≈ 0.2 at Tc = 70 K, are applied to demonstrate the effects of oxygen ordering on theExpand
Strain Induced Orbital-Ordering in Relativistic Mott Insulator BaCrO3
Using ab initio calculations, we have investigated an insulating tetragonally distorted perovskite BaCrO3 with a formal 3d^2 configuration, the volume of which is apparently substantially enhanced byExpand
Proposed ordering of textured spin singlets in a bulk infinite-layer nickelate
The infinite-layer structure nickelate Ba$_2$NiO$_2$(AgSe)$_2$ (BNOAS) with $d^8$ Ni ions and a peculiar susceptibility $\chi(T)$ is studied with correlated density functional methods. The overridingExpand
Modeling Interlayer Slips in 3D Beam Analysis Modeling Interlayer Slips in 3D Beam Analysis
Multi-layered composite beams, which consist of multiple layers with different material are commonly used in various engineering fields to obtain enhanced structural property. However, complete shearExpand
Noncentrosymmetric compensated half-metal hosting pure spin Weyl nodes, triple nodal points, nodal loops, and nexus fermions
Materials containing multiple topological characteristics become more exotic when combined with noncentrosymmetric crystal structures and unusual magnetic phases such as the compensated half-metalExpand
Half-metallic ferrimagnetism driven by Coulomb-enhanced spin-orbit coupling in PdCrO 3
Recently, in the seemingly narrow gap insulating NiCrO$_3$ with the trigonally distorted (R-3c) perovskite-like structure, a compensated half-metal (CHM) is predicted, as applying a modest pressure.Expand
Stability of room temperature compensated half-metallicity in Cr-based Inverse-Heusler Compounds
Abstract Using three correlated band approaches, namely the conventional band approach plus on-site Coulomb repulsion U, the modified Becke-Johnson functional, and hybrid functional, we haveExpand
Revisited Compensated Half-Metallicity in Inverse-Heusler Compounds Cr$_2$CoZ (Z=Al, Ga, In)
Using three correlated band approaches, namely the conventional band approach plus on-site Coulomb repulsion $U$, the modified Becke-Johnson functional, and hybrid functional, we revisited a few ofExpand