147 citations · 379 across the 14 of their papers we have counts for
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Efficacious symmetry-adapted atomic displacement method for lattice dynamical studies
Chee Kwan Gan, Yun Liu, Tze Chien Sum +1
Small displacement methods have been successfully used to calculate the lattice dynamical properties of crystals. It involves displacing atoms by a small amount in order to calcula…
Large anharmonic effect and thermal expansion anisotropy of metal chalcogenides: The case of antimony sulfide
Chee Kwan Gan, Jian Rui Soh, Yun Liu
We derive a compact matrix expression for the linear thermal expansion coefficients (TECs) for a general orthorhombic system which relates the elastic properties and the integrated…
First-principles study of the lattice dynamics of Sb2S3
Yun Liu, Kun Ting Eddie Chua, Tze Chien Sum +1
We present a lattice dynamics study of orthorhombic antimony sulphide (Sb2S3) obtained using density-functional calculations in conjunction with the supercell force-constant method…