activity
20122026
most citedFirst-principles study on cubic pyrochlore iridates Y2Ir2O7 and Pr2Ir2O7

27 citations · 65 across the 8 of their papers we have counts for

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14 papers · 1 filter

cond-mat.mtrl-sci2026

Linear and nonlinear optical responses in the chiral multifold semimetal BeAu: A quantum-geometric perspective

Babu Baijnath Prasad, Taisuke Ozaki

Chiral topological semimetals provide a natural platform for exploring how multifold band topology and quantum geometry manifest in optical and photovoltaic responses. BeAu is a ch…

cond-mat.mtrl-sci2023

Closest Wannier functions to a given set of localized orbitals

Taisuke Ozaki

A non-iterative method is presented to calculate the closest Wannier functions (CWFs) to a given set of localized guiding functions, such as atomic orbitals, hybrid atomic orbitals…

cond-mat.mtrl-sci2023

Electronic band structure change with structural transition of buckled AuX monolayers induced by strain

Masahiro Fukuda, Taisuke Ozaki

This study investigates the strain-induced structural transitions of and the changes in electronic band structures of AuX (X=S, Se, Te, Si, Ge) and AuS…

cond-mat.mtrl-sci2021

Methods for constructing parameter-dependent flat band lattices

Toshitaka Ogata, Mitsuaki Kawamura, Taisuke Ozaki

We present two methods for constructing a flat band (FB) system having a flat energy dispersion over the entire Brillouin zone within tight-binding model, where the resulting Hamil…

cond-mat.mtrl-sci2020

Densest binary sphere packings and phase diagram : revisited

Ryotaro Koshoji, Mitsuaki Kawamura, Masahiro Fukuda +1

We revisit the densest binary sphere packings (DBSP) under the periodic boundary conditions and present an updated phase diagram, including newly found 12 putative densest structur…

cond-mat.mtrl-sci2020

First-principles study on the stability and electronic structure of monolayer GaSe with trigonal-antiprismatic structure

Hirokazu Nitta, Takahiro Yonezawa, Antoine Fleurence +2

The structural stability and electronic states of GaSe monolayer with trigonal-antiprismatic (AP) structure, which is a recently discovered new polymorph, were studied by first-pri…