The influence of hydrostatic pressure on the static and dynamic properties of an InSe crystal: A first-principles study
作者： K. Z. Rushchanskii
DOI: 10.1134/1.1641949
关键词: Brillouin zone 、 Crystal structure 、 Spectroscopy 、 Lattice (order) 、 Hydrostatic pressure 、 Solid-state physics 、 Condensed matter physics 、 Materials science 、 Rigidity (electromagnetism) 、 Layer thickness 、 Electronic, Optical and Magnetic Materials
摘要: The pressure dependences of the crystallographic parameters γ-InSe structure in range up to 15 GPa are theoretically investigated using density-functional method. It is established that, from 7 11 GPa, lattice exhibit an anomalous behavior: rigidity increases direction weak bond and decreases plane layers. layer thickness characterized by a nonmonotonic dependence. numerical values crystal under compression determined, vibrational frequencies at center Brillouin zone calculated theoretically. results theoretical calculations good agreement with available experimental data.
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