Yong Yang

activity

20232026

collaborators

3 papers

cond-mat.mtrl-sci2026

Ab initio Phase Diagram of Ta2O5

Yan Gong, Huimin Tang, Yong Yang +1

Tantalum pentoxide (Ta2O5) is a polymorphic wide-bandgap semiconductor with outstanding dielectric properties and widespread use in optical and electronic technologies. Its rich st…

cond-mat.mtrl-sci2025

Possible Orthorhombic Phase of Ta $_{2}$ O $_{5}$ under High Pressures

Yan Gong, HuiMin Tang, Yong Yang +1

A potential orthorhombic phase of Ta $_{2}$ O $_{5}$ , designated as Y-Ta $_{2}$ O $_{5}$ , is predicted under high-pressure conditions through density functional theory (DFT) calculations combine…

cond-mat.mtrl-sci2023

Electronic Structure of Ta $_{2}$ O $_{5}$ Polymorphs: Variation Trend of Band Gap and the Role of Oxygen Vacancies

Hui-Min Tang, Yong Yang

We provide a systematic study on the electronic structure of a series of Ta $_{2}$ O $_{5}$ polymorphs using standard density functional theory (DFT) calculations as well as the more accu…

Ab initio Phase Diagram of Ta2O5

Possible Orthorhombic Phase of Ta2​O5​ under High Pressures

Electronic Structure of Ta2​O5​ Polymorphs: Variation Trend of Band Gap and the Role of Oxygen Vacancies

Possible Orthorhombic Phase of Ta $_{2}$ O $_{5}$ under High Pressures

Electronic Structure of Ta $_{2}$ O $_{5}$ Polymorphs: Variation Trend of Band Gap and the Role of Oxygen Vacancies