Ab initio investigation of amorphous Sb2Te

作者：Zhang Wei; Ronneberger Ider; Li Yan; Mazzarello Riccardo^*

来源：Monatshefte fur Chemie, 2014, 145(1): 97-101.

DOI：10.1007/s00706-013-0980-0

• Ab initio calculations
• Molecular dynamics
• Kinetics
• Phase transformations
• Chalcogenides
• Phase-change materials

Chalcogenide phase-change alloys are an important class of materials for applications in data storage. In this work, we investigate the structural properties of the amorphous phase of the phase-change material Sb2Te. We show that all the atoms in Sb2Te are in a defective octahedral environment, that the majority of primitive rings are five- and four-membered, and that the voids are small and amount to about 2 % of the total volume of the system.

• 出版日期2014-1