The search for near interface oxide traps - first-principles calculations on intrinsic SiO2 defects

J. M. Knaup, P. Deák, A. Gali, Z. Hajnal, Th Frauenheim, J. W. Choyke

Research output: Chapter in Book/Report/Conference proceedingConference contribution

6 Citations (Scopus)

Abstract

The density of interface traps (Dit) in thermally oxidized SiC is unacceptably high for MOS device fabrication. The most severe problem is posed by the extremely high concentration of slow acceptor states near the conduction band edge of 4H-SiC. These states are attributed to near interface traps originating from (probably intrinsic) defects in the oxide. Here a systematic theoretical search is presented for possible defects in the oxide with an appropriate acceptor level. Supercell calculations using a hybrid functional approach (and resulting in a correct gap) on defects in alpha-quartz exclude the oxygen vacancy and the oxygen interstitial, as possible candidates. In contrast, these calculations predict interstitial silicon to have an acceptor level in the appropriate range. The carbon interstitial in silica has an acceptor level somewhat deeper than that. Occupation of these levels give rise to significant rearrangement of the environment, leading to a more extended defect structure.

Original languageEnglish
Title of host publicationMaterials Science Forum
Pages569-572
Number of pages4
Volume483-485
Publication statusPublished - 2005
Event5th European Conference on Silicon Carbide and Related Materials, ECRSCRM2004 - Bologna, Italy
Duration: Aug 31 2004Sep 4 2004

Publication series

NameMaterials Science Forum
Volume483-485
ISSN (Print)02555476

Other

Other5th European Conference on Silicon Carbide and Related Materials, ECRSCRM2004
CountryItaly
CityBologna
Period8/31/049/4/04

Fingerprint

Oxides
Defects
Quartz
MOS devices
Defect structures
Silicon
Oxygen vacancies
Conduction bands
Silicon Dioxide
Carbon
Silica
Oxygen
Fabrication

Keywords

  • Near interface traps
  • Oxide
  • SiO intrinsic defects

ASJC Scopus subject areas

  • Materials Science(all)

Cite this

Knaup, J. M., Deák, P., Gali, A., Hajnal, Z., Frauenheim, T., & Choyke, J. W. (2005). The search for near interface oxide traps - first-principles calculations on intrinsic SiO2 defects. In Materials Science Forum (Vol. 483-485, pp. 569-572). (Materials Science Forum; Vol. 483-485).

The search for near interface oxide traps - first-principles calculations on intrinsic SiO2 defects. / Knaup, J. M.; Deák, P.; Gali, A.; Hajnal, Z.; Frauenheim, Th; Choyke, J. W.

Materials Science Forum. Vol. 483-485 2005. p. 569-572 (Materials Science Forum; Vol. 483-485).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Knaup, JM, Deák, P, Gali, A, Hajnal, Z, Frauenheim, T & Choyke, JW 2005, The search for near interface oxide traps - first-principles calculations on intrinsic SiO2 defects. in Materials Science Forum. vol. 483-485, Materials Science Forum, vol. 483-485, pp. 569-572, 5th European Conference on Silicon Carbide and Related Materials, ECRSCRM2004, Bologna, Italy, 8/31/04.
Knaup JM, Deák P, Gali A, Hajnal Z, Frauenheim T, Choyke JW. The search for near interface oxide traps - first-principles calculations on intrinsic SiO2 defects. In Materials Science Forum. Vol. 483-485. 2005. p. 569-572. (Materials Science Forum).
Knaup, J. M. ; Deák, P. ; Gali, A. ; Hajnal, Z. ; Frauenheim, Th ; Choyke, J. W. / The search for near interface oxide traps - first-principles calculations on intrinsic SiO2 defects. Materials Science Forum. Vol. 483-485 2005. pp. 569-572 (Materials Science Forum).
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