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Finite-temperature $textitab initio$ structural optimization of the bilayer nickelate superconductor La$_3$Ni$_2$O$_7$
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
ニッケル酸化物新超伝導体の発見:現状と展望
原子核の量子ゆらぎが支える高圧下LaH$_{10}$の高温超伝導
Materials design of dynamically stable $d^9$ layered nickelates
Quantum crystal structure in the 250-kelvin superconducting lanthanum hydride
Formation of a two-dimensional single-component correlated electron system and band engineering in the nickelate superconductor NdNiO2
Effect of Van Hove singularities on high-Tc superconductivity in H3S
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