National Natural Science Foundation of China(51202196);Northwestern Polytechnical University(NPU)Foundation for Fundamental Research(JC201111);Research Fund of the State Key Laboratory of Solidification Processing(NWPU)(58-TZ-2011);"111"Project(B08040)
the Research Fund of the State Key Laboratory of Solidification Processing(NWPU)(58-TZ-2011);the "111" Project under Grant(B08040);Northwestern Polytechnical University(NPU)Fundamental Research(JC201111);National Natural Science Foundation of China(51202196)
National Natural Science Foundations of China(51202196);Northwestern Polytechnical University Foundation for Fundamental Research(JC201111);"111"Project Foundation(B08040)
supported by the National Natural Science Foundation of China (No.51202196);the Northwestern Polytechnical University (NPU) Foundation for Fundamental Research (No.JC201111);the Research Fund of the State Key Laboratory of Solidification Processing (NWPU,(No.58-TZ-2011);the 111 Project (No.B08040)
The structural relaxation, electronic structures, formation energies and transition energy levels of monoclinic HfO2 with neutral and charged oxygen vacancies have been studied using the first principles calculation b...