Disclosing the behavior under hydrostatic pressure of rhombohedral MgIn2Se4 by means of first-principles calculations

AM2X4 crystalline materials display important technological electronic, optical and magnetic properties that are sensitive to general stress effects. In this paper, the behavior under hydrostatic pressure of the ambient condition rhombohedral phase of MgIn2Se4 is investigated in detail for the first...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2020-01, Vol.22 (38), p.21909-21918
Hauptverfasser:	Boukri, Khaled, Ouahrani, Tarik, Badawi, Michael, Demmouche, Kamel, Franco, Ruth, Recio, J Manuel
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemical bonds Chemical Sciences Density functional theory Dispersion curve analysis First principles Hydrostatic pressure Magnetic properties Optical properties Physics Room temperature Spinel Stability criteria
Online-Zugang:	Volltext
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