Prediction of high-temperature point defect formation in TiO2 from combined ab initio and thermodynamic calculations
Jun He(Guangdong University of Technology), Susan B. Sinnott(Pennsylvania State University), Michael W. Finnis(Imperial College London), Elizabeth C. Dickey(Carnegie Mellon University), Rakesh K. Behera(University of Florida), Simon R. Phillpot(University of Florida), Xiaoyue Li(Soochow University)
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