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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| Format: | Article |
| Language: | English |
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Penerbit Universiti Kebangsaan Malaysia
2016
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| Online Access: | http://journalarticle.ukm.my/10301/ http://journalarticle.ukm.my/10301/ http://journalarticle.ukm.my/10301/1/17%20Qi-Jun%20Liu.pdf |