Theoretical investigations for the polyt
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Tomonori Ito; Tomoyuki Kondo; Toru Akiyama; Kohji Nakamura
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Article
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2011
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Elsevier Science
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English
β 396 KB
Polytypism in semiconductors including SiC and ZnS is systematically investigated using ab initio pseudopotential approach for the total energy calculations with/without vacancy in 3C (zinc blende), 6H, 4H, and 2H (wurtzite) structures. The calculated total energy E among 3C, 6H, 4H, and 2H implies