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cond-mat.mtrl-sci2018★ 12 cited
Strain Effects on Phase Transitions in Transition Metal Dichalcogenides
Seoung-Hun Kang, Young-Kyun Kwon
We perform density functional theory calculation to investigate the structural and electronic properties of various two-dimensional transition metal dichalcogenides, MX (MTi…
cond-mat.mtrl-sci2018★ 21 cited
Low Lattice Thermal Conductivity of a Two-Dimensional Phosphorene Oxide
Seungjun Lee, Seoung-Hun Kang, Young-Kyun Kwon
A fundamental understanding of the phonon transport mechanism is important for optimizing the efficiency of thermoelectric devices. In this study, we investigate the thermal transp…
cond-mat.str-el2018★ 7 cited
Noncollinear magnetic sampling method for paramagnetic Mott insulator MnO
Sangmoon Yoon, Seoung-Hun Kang, Sangmin Lee +4
We present a new approach based on the static density functional theory (DFT) to describe paramagentic MnO, which is a representative paramagnetic Mott insulator. We appended the s…