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Pressure dependence of structural, elastic and electronic properties of α-Al2O3: first-principles calculations

The first-principles calculations were performed to investigate the structural, elastic, mechanical and electronic properties of α-Al2O3 at applied pressure up to 50 GPa. The obtained ground state properties were in agreement with previous experimental and theoretical data. The elastic constants, bu...

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Main Authors:	Liu, Qi-Jun, Liu, Zheng-Tang
格式:	Article
語言:	English
出版:	Penerbit Universiti Kebangsaan Malaysia 2016
在線閱讀:	http://journalarticle.ukm.my/10301/1/17%20Qi-Jun%20Liu.pdf http://journalarticle.ukm.my/10301/ http://www.ukm.my/jsm/english_journals/vol45num10_2016/contentsVol45num10_2016.html
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