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Takuya Nomoto

Continuous crossover between insulating ferroelectrics and the polar metals: textitAb initio calculation of structural phase transitions of Li$B$O$_3$ ($B$ = Ta, W, Re, Os)
非調和フォノン理論に基づいた有限温度における結晶構造の第一原理計算
Full optimization of quasiharmonic free energy with an anharmonic lattice model: Application to thermal expansion and pyroelectricity of wurtzite GaN and ZnO
Ab initio structural optimization at finite temperatures based on anharmonic phonon theory: Application to the structural phase transitions of BaTiO$_3$
Anharmonic Grüneisen theory based on self-consistent phonon theory: Impact of phonon-phonon interactions neglected in the quasiharmonic theory

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