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Ti-derived intermediate band in MgH₂
This article deals with a study of electronic structure of Ti-doped MgH₂ by the first-principles calculations. We show that Ti impurity substituting Mg (TiMmg) forms an intermediate band in the band gap of MgH₂, which is partially filled with electrons. However, the intermediate bands are well local...
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Main Authors: | , , , , |
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Format: | Article |
Language: | English |
Published: |
НТК «Інститут монокристалів» НАН України
2012
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Series: | Functional Materials |
Subjects: | |
Online Access: | http://dspace.nbuv.gov.ua/handle/123456789/135364 |
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