Effect of temperature on structural, dynamical, and electronic properties of Sc₂Te₃ from first-principles calculations.

ABSTRACT: The compounds Sc₂Te₃ and Sb₂Te₃ have the same crystal structure. Ge-Sb-Te alloys are also the most common prototype phase change memory (PCM) compounds in the GeTe-Sb₂Te₃ pseudo-binary combination. Recently, alloying Sc atoms into Sb₂Te₃ has enabled sub-nanosecond switching in large conventional phase-change random access memory (PCRAM) devices. However, prior study on the electronic structure and dynamic properties of the Sc₂Te₃ system is very limited. In this work, we investigate the effect of temperature on the structural, dynamic, and electronic properties of the Sc₂Te₃ compound through ab initio molecular dynamics simulations. We show that the dist

SUBMITTER: Zewdie GM 

PROVIDER: S-EPMC9665046 | biostudies-literature | 2022 Nov

REPOSITORIES: biostudies-literature