2 papers
cond-mat.mtrl-sci2021
Influence of vacancies on phonons and pressure phase transitions in TiO: a DFT study
S. Vahid Hosseini, Mohaddeseh Abbasnejad, Mohammad Reza Mohammadizadeh
Since recently, some interests appeared in TiO as a thin film coating material due to its promising physical properties. Moreover, because of the existence of intrinsic vacancies,…
cond-mat.mtrl-sci2020
Intrinsic Electronic Defect States of Anatase using Density Functional Theory
Abhishek Raghav, Adie Tri Hanindriyo, Keishu Utimula +3
In this work an overall electronic structure including the position and formation energies of various intrinsic defects are computed for anatase using Density Functional Theory aid…