Concurring effect of doping and composition on the thermodynamic properties of amorphous GexSe1-x alloys

• Published in: Acta materialia Vol. 266; p. 119676
• Main Authors: Tavanti, Francesco, Calzolari, Arrigo
• Format: Journal Article
• Language: English
• Published: Elsevier Ltd 01-03-2024
• Subjects: Chalcogenide; Dopant; Molecular dynamics; Structure; Thermodynamic; Dopant; Molecular dynamics; Chalcogenide; Structure; Thermodynamic
• ISSN: 1359-6454; 1873-2453
• DOI: 10.1016/j.actamat.2024.119676

Chalcogenide materials are attracting growing attention for their ability to switch between different electrical states in response to temperature or current changes. In particular, amorphous GeSe alloys are considered as strong contenders for Ovonic Threshold Switching (OTS) applications. The need for memory devices with low power consumption and high stability demands for the design of tailored materials, whose properties are controlled by doping and composition. Notwithstanding, the study of doped GeSe is limited by costs and duration of the experimental verification of their properties. Here, we used extensive molecular dynamics simulations to examine the structural and thermodynamical properties of doped GeSe systems, uncovering the simultaneous impact of different dopants, concentrations, and stoichiometries on their structural and phase change characteristics.
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