Electronic structures and optical properties of HfO2–TiO2 alloys studied by first-principles GGA + U approach<xref rid="cpb_27_2_027101_fn1" ref-type="fn">*</xref> <fn id="cpb_27_2_027101_fn1"> <label>*</label> Project supported by the National Natural Science Foundation of China (Grant Nos. 11672087, 11502058, and 11402252). </fn>

Electronic structures and optical properties of HfO₂–TiO₂ alloys studied by first-principles GGA + U approach* *

Project supported by the National Natural Science Foundation of China (Grant Nos. 11672087, 11502058, and 11402252).

Li Jin-Ping^{1, †}, Meng Song-He¹, Yang Cheng¹, Lu Han-Tao², Tohyama Takami³

(color online) Density of states (DOS) of o-HfO₂–TiO₂ calculated by use of GGA + U^d (U^d = 8.0 eV) + U^p (U^p = 6.0 eV). (a) Total DOS, (b) partial DOS of Hf atom, (c) partial DOS of Ti atom, and (d) partial DOS of O atom.