Phase Stability and Phase Transition Pathways in the Rhombohedral Phase of HfO2

Author:

Hu Qi12,Lv Shuning1,Xue Chuang1,Tsai Hsiaoyi1,Cao Tengfei3,Xu Zhongfei4,Teobaldi Gilberto5ORCID,Liu Li-Min1ORCID

Affiliation:

1. School of Physics, Beihang University, Beijing 100191, China

2. School of Chemistry, Beihang University, Beijing 100191, China

3. Department of Materials Science and Engineering, Northwestern Polytechnical University, Xian 710072, China

4. College of Environmental Science and Engineering, North China Electric Power University, Beijing 102206, China

5. Scientific Computing Department STFC-UKRI, Rutherford Appleton Laboratory, Didcot OX11 0QX, United Kingdom

Funder

Royal Society

National Key Research and Development Program of China

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

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