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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 117, 2019 - Issue 5
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Research Articles

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]
View further author information
Pages 547-556 | Received 21 Jul 2018, Accepted 05 Sep 2018, Published online: 26 Sep 2018

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