Alteration of structural, electronic, and vibrational properties of amorphous GeTe by selenium substitution: An experimentally constrained density functional study

The structural, vibrational and electronic properties of several compositions of amorphous Ge-Se-Te are studied from a combination of x-ray diffraction and density functional-based molecular dynamics. Different structural properties are considered such as structure factors, pair distribution functio...

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Veröffentlicht in:	Physical review. B 2021-10, Vol.104 (14), Article 144204
Hauptverfasser:	Micoulaut, M., Piarristeguy, A., Masson, O., Escalier, R., Flores-Ruiz, H., Pradel, A.
Format:	Artikel
Sprache:	eng
Schlagworte:	Condensed Matter Coordination numbers Density Distribution functions Fractions Materials Science Molecular dynamics Physics Selenium Short range order Tellurium
Online-Zugang:	Volltext
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