Theoretical investigation of the breakdown electric field of SiC polymorphs

Theoretical investigation of the breakdown electric field of SiC polymorphs

The breakdown electric field of several SiC polymorphs has been investigated theoretically using a concept of “recovery rate,” which is obtained by first principles calculations. A good relationship between the experimental breakdown electric fields and the calculated recovery rate of 4H-, 6H-, and...

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Bibliographic Details
Published in:Physica. B, Condensed matter Vol. 532; pp. 99 - 102
Main Authors: Yamaguchi, Kikou, Kobayashi, Daisuke, Yamamoto, Tomoyuki, Hirose, Kazuyuki
Format: Journal Article
Language:English
Published: Amsterdam Elsevier B.V 01-03-2018
Elsevier BV
Subjects:
Band gap
Breakdown
Breakdown electric field
Crystal structure
Electric fields
First principles
First principles calculation
Germanium sulfide
Mathematical analysis
Metal oxides
Polymorphism
Polymorphs
Recovery
Semiconductors
SiC
Silicon carbide
Breakdown electric field
First principles calculation
SiC
Polymorphs
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Summary:The breakdown electric field of several SiC polymorphs has been investigated theoretically using a concept of “recovery rate,” which is obtained by first principles calculations. A good relationship between the experimental breakdown electric fields and the calculated recovery rate of 4H-, 6H-, and 3C-SiC was obtained. In order to examine the stability of SiC polymorphs, the total electronic energies of various types of SiC crystal structures were calculated. Here, two candidates of polymorphs—GeS-type- and 2H-SiC—with energies comparable to those of experimentally well-established structures, have been obtained. The breakdown electric fields of these two polymorphs were estimated using a relationship obtained from the results of 4H-, 6H-, and 3C-SiC. This indicates that one of these polymorphs, GeS-type-SiC, has higher breakdown electric field than any other SiC polymorphs. In addition to the investigation with the recovery rate, relationship between experimental breakdown electric field and calculated band gap with recently developed accurate electron-correlation potential has been also discussed.
ISSN:0921-4526
1873-2135
DOI:10.1016/j.physb.2017.03.042