Structural, Electronic Properties, and Relative Stability Studies of Low-Energy Indium Oxide Polytypes Using First-Principles Calculations.

ABSTRACT: Materials made of indium oxide (In₂O₃) are now being used as a potential component of the next generation of computers and communication devices. Density functional theory is used to analyze the physical, electrical, and thermodynamical features of 12 low-energy bulk In₂O₃ polytypes. The cubic structure In₂O₃ is majorly used for many of the In₂O₃-based transparent conducting oxides. The objective of this study is to explore other new stable In₂O₃ polytypes that may exist. The structural properties and stability studies are performed using the Vienna ab initio simulation package code. All the In₂O₃ polytypes have semiconductive properties, according to electron

SUBMITTER: Devamanoharan A 

PROVIDER: S-EPMC10099427 | biostudies-literature | 2023 Apr

REPOSITORIES: biostudies-literature