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cond-mat.mtrl-sci2022
Revealing the Charge Density Wave caused by Peierls instability in two-dimensional NbSe
Yung-Ting Lee, Po-Tuan Chen, Zheng-Hong Li +10
The formation of a charge density wave (CDW) in two-dimensional (2D) materials caused by Peierls instability is a controversial topic. This study investigates the extensively debat…
cond-mat.mtrl-sci2020
Partitioning interatomic force constants for first-principles phonon calculations: Applications to NaCl, PbTiO, monolayer CrI, and twisted bilayer graphene
Chi-Cheng Lee, Chin-En Hsu, Hung-Chung Hsueh
First-principles phonon calculations have been widely performed for studying vibrational properties of condensed matter, where the dynamical matrix is commonly constructed via supe…