194 citations · 1.5k across the 46 of their papers we have counts for
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Emergence of Nearly Flat Bands through an Embedded Kagome Lattice in an Epitaxial Two-dimensional Ge Layer on ZrB2(0001)
Antoine Fleurence, Chi-Cheng Lee, Rainer Friedlein +8
Ge atoms segregating on zirconium diboride thin films grown on Ge(111) were found to crystallize into a two-dimensional bitriangular structure which was recently predicted to be a…
Reliability and applicability of magnetic force linear response theory: Numerical parameters, predictability, and orbital resolution
Hongkee Yoon, Taek Jung Kim, Jae-Hoon Sim +3
We investigated the reliability and applicability of so-called magnetic force linear response method to calculate spin-spin interaction strengths from first-principles. We examined…
First-principles study on cubic pyrochlore iridates Y2Ir2O7 and Pr2Ir2O7
Fumiyuki Ishii, Yo Pierre Mizuta, Takehiro Kato +3
Fully relativistic first-principles electronic structure calculations based on a noncollinear local spin density approximation (LSDA) are performed for pyrochlore iridates YIr$…
Numerically exact O() method for large-scale electronic structure calculations
Taisuke Ozaki
An efficient low-order scaling method is presented for large-scale electronic structure calculations based on the density functional theory using localized basis functions, which d…
Spin-Orbit Integrated Ground State and Magnetic Anisotropy in SrIrO
Hosub Jin, Hogyun Jeong, Taisuke Ozaki +1
We present a microscopic model for the anisotropic exchange interactions in SrIrO. A direct construction of Wannier functions from first-principles calculations proves…