Si[subscript C]C[subscript Si] antisite pairs in SiC identified as paramagnetic defects with strongly anisotropic orbital quenching
The nearest-neighbor antisite pair defects in 4H-SiC, 6H-SiC, and 3C-SiC single crystals have been identified using electron paramagnetic resonance spectroscopy in combination with a nonperturbative ab initio scheme for the electronic g tensor. Based on the theoretical predictions, the positively c...
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American Physical Society
2010
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| Online Access: | http://hdl.handle.net/1721.1/58696 https://orcid.org/0000-0002-9831-0773 |
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| author | Ceresoli, Davide Gerstmann, Uwe Seitsonen, A. P. Mauri, Francesco von Bardeleben, H. J. Cantin, J. L. Garcia Lopez, J. |
| author2 | Massachusetts Institute of Technology. Department of Materials Science and Engineering |
| author_facet | Massachusetts Institute of Technology. Department of Materials Science and Engineering Ceresoli, Davide Gerstmann, Uwe Seitsonen, A. P. Mauri, Francesco von Bardeleben, H. J. Cantin, J. L. Garcia Lopez, J. |
| author_sort | Ceresoli, Davide |
| collection | MIT |
| description | The nearest-neighbor antisite pair defects in 4H-SiC, 6H-SiC, and 3C-SiC single crystals have been identified using electron paramagnetic resonance spectroscopy in combination with a nonperturbative ab initio scheme for the electronic g tensor. Based on the theoretical predictions, the positively charged defect has been found experimentally also in the cubic 3C-SiC polytype where it is characterized by spin 1/2 and highly anisotropic g values of g[subscript xx]=2.0030, g[subscript yy]=2.0241, and g[subscript zz]=2.0390 within C1[subscript h] symmetry. The exceptional large g values are explained by details of the spin-orbit coupling causing a strongly anisotropic quenching of the orbital angular momentum of the p-like unpaired electron. |
| first_indexed | 2024-09-23T16:09:16Z |
| format | Article |
| id | mit-1721.1/58696 |
| institution | Massachusetts Institute of Technology |
| language | en_US |
| last_indexed | 2024-09-23T16:09:16Z |
| publishDate | 2010 |
| publisher | American Physical Society |
| record_format | dspace |
| spelling | mit-1721.1/586962022-10-02T06:42:15Z Si[subscript C]C[subscript Si] antisite pairs in SiC identified as paramagnetic defects with strongly anisotropic orbital quenching SiCCSi antisite pairs in SiC identified as paramagnetic defects with strongly anisotropic orbital quenching Ceresoli, Davide Gerstmann, Uwe Seitsonen, A. P. Mauri, Francesco von Bardeleben, H. J. Cantin, J. L. Garcia Lopez, J. Massachusetts Institute of Technology. Department of Materials Science and Engineering Ceresoli, Davide Ceresoli, Davide The nearest-neighbor antisite pair defects in 4H-SiC, 6H-SiC, and 3C-SiC single crystals have been identified using electron paramagnetic resonance spectroscopy in combination with a nonperturbative ab initio scheme for the electronic g tensor. Based on the theoretical predictions, the positively charged defect has been found experimentally also in the cubic 3C-SiC polytype where it is characterized by spin 1/2 and highly anisotropic g values of g[subscript xx]=2.0030, g[subscript yy]=2.0241, and g[subscript zz]=2.0390 within C1[subscript h] symmetry. The exceptional large g values are explained by details of the spin-orbit coupling causing a strongly anisotropic quenching of the orbital angular momentum of the p-like unpaired electron. Deutsche Forschungsgemeinschaft (Grant No. GE 1260/3-1) Institut National de Physique Nucleaire et Physique des Particules/CNRS Institut National de Physique Nucleaire et Physique des Particules/CNRS (IDRIS supercomputing center in Paris-Orsay Grant No. 061202) 2010-09-23T22:22:02Z 2010-09-23T22:22:02Z 2010-05 2010-04 Article http://purl.org/eprint/type/JournalArticle 1098-0121 http://hdl.handle.net/1721.1/58696 Gerstmann, U. et al. “Si[subscript C]C[subscript Si] antisite pairs in SiC identified as paramagnetic defects with strongly anisotropic orbital quenching.” Physical Review B 81.19 (2010): 195208. © 2010 The American Physical Society. https://orcid.org/0000-0002-9831-0773 en_US http://dx.doi.org/10.1103/PhysRevB.81.195208 Physical Review B Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use. application/pdf American Physical Society APS |
| spellingShingle | Ceresoli, Davide Gerstmann, Uwe Seitsonen, A. P. Mauri, Francesco von Bardeleben, H. J. Cantin, J. L. Garcia Lopez, J. Si[subscript C]C[subscript Si] antisite pairs in SiC identified as paramagnetic defects with strongly anisotropic orbital quenching |
| title | Si[subscript C]C[subscript Si] antisite pairs in SiC identified as paramagnetic defects with strongly anisotropic orbital quenching |
| title_full | Si[subscript C]C[subscript Si] antisite pairs in SiC identified as paramagnetic defects with strongly anisotropic orbital quenching |
| title_fullStr | Si[subscript C]C[subscript Si] antisite pairs in SiC identified as paramagnetic defects with strongly anisotropic orbital quenching |
| title_full_unstemmed | Si[subscript C]C[subscript Si] antisite pairs in SiC identified as paramagnetic defects with strongly anisotropic orbital quenching |
| title_short | Si[subscript C]C[subscript Si] antisite pairs in SiC identified as paramagnetic defects with strongly anisotropic orbital quenching |
| title_sort | si subscript c c subscript si antisite pairs in sic identified as paramagnetic defects with strongly anisotropic orbital quenching |
| url | http://hdl.handle.net/1721.1/58696 https://orcid.org/0000-0002-9831-0773 |
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