作者: Kikou Yamaguchi , Daisuke Kobayashi , Tomoyuki Yamamoto , Kazuyuki Hirose
DOI: 10.1016/J.PHYSB.2017.03.042
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摘要: Abstract The breakdown electric field of several SiC polymorphs has been investigated theoretically using a concept “recovery rate,” which is obtained by first principles calculations. A good relationship between the experimental fields and calculated recovery rate 4H-, 6H-, 3C-SiC was obtained. In order to examine stability polymorphs, total electronic energies various types crystal structures were calculated. Here, two candidates polymorphs—GeS-type- 2H-SiC—with comparable those experimentally well-established structures, have these estimated from results 3C-SiC. This indicates that one GeS-type-SiC, higher than any other polymorphs. addition investigation with rate, band gap recently developed accurate electron-correlation potential also discussed.