Prediction of HfB₃ from first-principles calculations: crystal structures, stabilities, electronic properties and hardnesses

Lan-Hui HuangSchool of Computer, Baoji University of Arts and Sciences, Baoji, People’s Republic of ChinaView further author information

Ya-Ru ZhaoCollege of Physics & Optoelectronics Technology, Baoji University of Arts and Sciences, Baoji, People’s Republic of ChinaView further author information

Gang-Tai ZhangCollege of Physics & Optoelectronics Technology, Baoji University of Arts and Sciences, Baoji, People’s Republic of ChinaView further author information

Mei-Guang ZhangCollege of Physics & Optoelectronics Technology, Baoji University of Arts and Sciences, Baoji, People’s Republic of ChinaView further author information

Pei-Ying LiCollege of Physics & Optoelectronics Technology, Baoji University of Arts and Sciences, Baoji, People’s Republic of ChinaView further author information

Yan-Fei HuSchool of Physics and Electronic Engineering, Sichuan University of Science & Engineering, Zigong, People’s Republic of China;National Key Laboratory for Shock Wave and Detonation Physics Research, China Academy of Engineering Physics, Institute of Fluid Physics, Mianyang, People’s Republic of ChinaCorrespondence[email protected]
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Prediction of HfB₃ from first-principles calculations: crystal structures, stabilities, electronic properties and hardnesses

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Prediction of HfB3 from first-principles calculations: crystal structures, stabilities, electronic properties and hardnesses

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Prediction of HfB₃ from first-principles calculations: crystal structures, stabilities, electronic properties and hardnesses