Structural stability and electronic structural properties of type-Ⅷ Ba8Ga16-xAlxSn30 (x=0, 6, 16) clathrates from first-principles calculations

doi:10.3969/j.issn.1001-9731.2021.03.030

Jorunal of Functional Materials ›› 2021, Vol. 52 ›› Issue (3) : 3194-3199. DOI: 10.3969/j.issn.1001-9731.2021.03.030

Structural stability and electronic structural properties of type-Ⅷ Ba₈Ga_16-xAl_xSn₃₀ (x=0, 6, 16) clathrates from first-principles calculations

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{{article.zuoZheEn_L}}. {{article.title_en}}. {{journal.qiKanMingCheng_EN}}. 2021, 52(3): 3194-3199 https://doi.org/10.3969/j.issn.1001-9731.2021.03.030

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Received	Revised	Published
2020-09-08	2021-01-19	2021-03-30
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2021-03-30

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