Theoretical investigations on HgTe chalcogenide materials under high pressure

First principle computations based on Density Functional Theory are made to investigate structural, mechanical, electronic properties and phase transition behaviors of HgTe chalcogenide material. It is obtained that the phase transition sequence of HgTe material is Zincblende → Cinnabar → Rocksalt →...

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Veröffentlicht in:	Physica scripta 2021-04, Vol.96 (4), p.45703
Hauptverfasser:	Duz, I, Kart, H H, Ozdemir Kart, S, Kuzucu, V
Format:	Artikel
Sprache:	eng
Schlagworte:	chalcogenide Density functional theory elastic constants Isotropic mechanical calculation phase transition
Online-Zugang:	Volltext
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