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| 005 | 20230426083051.0 | ||
| 017 | _ | _ | |a This version is available at the following Publisher URL: http://prb.aps.org |
| 024 | 7 | _ | |a 10.1103/PhysRevB.70.155313 |2 DOI |
| 024 | 7 | _ | |a WOS:000224855900055 |2 WOS |
| 024 | 7 | _ | |a 2128/1379 |2 Handle |
| 037 | _ | _ | |a PreJuSER-40600 |
| 041 | _ | _ | |a eng |
| 082 | _ | _ | |a 530 |
| 084 | _ | _ | |2 WoS |a Physics, Condensed Matter |
| 100 | 1 | _ | |a Höhler, H. |b 0 |u FZJ |0 P:(DE-Juel1)VDB21442 |
| 245 | _ | _ | |a Cd-vacancy and Cd-interstitial complexes in Si and Ge |
| 260 | _ | _ | |a College Park, Md. |b APS |c 2004 |
| 300 | _ | _ | |a 155313 |
| 336 | 7 | _ | |a Journal Article |0 PUB:(DE-HGF)16 |2 PUB:(DE-HGF) |
| 336 | 7 | _ | |a Output Types/Journal article |2 DataCite |
| 336 | 7 | _ | |a Journal Article |0 0 |2 EndNote |
| 336 | 7 | _ | |a ARTICLE |2 BibTeX |
| 336 | 7 | _ | |a JOURNAL_ARTICLE |2 ORCID |
| 336 | 7 | _ | |a article |2 DRIVER |
| 440 | _ | 0 | |a Physical Review B |x 1098-0121 |0 4919 |v 70 |
| 500 | _ | _ | |a Record converted from VDB: 12.11.2012 |
| 520 | _ | _ | |a The electrical-field gradient (EFG), measured, e.g., in perturbed angular correlation experiments, gives particularly useful information about the interaction of probe atoms like In-111/Cd-111 with other defects. The interpretation of the EFG is, however, a difficult task. This paper aims at understanding the interaction of Cd impurities with vacancies and interstitials in Si and Ge, which represents a controversial issue. We apply two complementary ab initio methods in the framework of density-functional theory, (i) the all electron Korringa-Kohn-Rostoker Green function method and (ii) the pseudopotential-plane-wave method, to search for the correct local geometry. Surprisingly we find that both in Si and Ge the substitutional Cd-vacancy complex is unstable and relaxes to a split-vacancy complex with the Cd on the bond-center site. This complex has a very small EFG, allowing a unique assignment of the small measured EFGs of 54 MHz in Ge and 28 MHz in Si. Also, for the Cd-self-interstitial complex we obtain a highly symmetrical split configuration with large EFG's, being in reasonable agreement with experiments. |
| 536 | _ | _ | |a Kondensierte Materie |c M02 |2 G:(DE-HGF) |0 G:(DE-Juel1)FUEK242 |x 0 |
| 542 | _ | _ | |i 2004-10-18 |2 Crossref |u http://link.aps.org/licenses/aps-default-license |
| 588 | _ | _ | |a Dataset connected to Web of Science |
| 650 | _ | 7 | |a J |2 WoSType |
| 700 | 1 | _ | |a Atodiresei, N. |b 1 |u FZJ |0 P:(DE-Juel1)130513 |
| 700 | 1 | _ | |a Schroeder, K. |b 2 |u FZJ |0 P:(DE-Juel1)VDB3933 |
| 700 | 1 | _ | |a Zeller, R. |b 3 |u FZJ |0 P:(DE-Juel1)131057 |
| 700 | 1 | _ | |a Dederichs, P. H. |b 4 |u FZJ |0 P:(DE-Juel1)130612 |
| 773 | 1 | 8 | |a 10.1103/physrevb.70.155313 |b American Physical Society (APS) |d 2004-10-18 |n 15 |p 155313 |3 journal-article |2 Crossref |t Physical Review B |v 70 |y 2004 |x 1098-0121 |
| 773 | _ | _ | |a 10.1103/PhysRevB.70.155313 |g Vol. 70, p. 155313 |p 155313 |n 15 |q 70<155313 |0 PERI:(DE-600)2844160-6 |t Physical review / B |v 70 |y 2004 |x 1098-0121 |
| 856 | 7 | _ | |u http://dx.doi.org/10.1103/PhysRevB.70.155313 |u http://hdl.handle.net/2128/1379 |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/40600/files/54726.pdf |y OpenAccess |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/40600/files/54726.jpg?subformat=icon-1440 |x icon-1440 |y OpenAccess |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/40600/files/54726.jpg?subformat=icon-180 |x icon-180 |y OpenAccess |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/40600/files/54726.jpg?subformat=icon-640 |x icon-640 |y OpenAccess |
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| 913 | 1 | _ | |k M02 |v Kondensierte Materie |l Kondensierte Materie |b Materie |0 G:(DE-Juel1)FUEK242 |x 0 |
| 914 | 1 | _ | |y 2004 |
| 915 | _ | _ | |0 StatID:(DE-HGF)0010 |a JCR/ISI refereed |
| 915 | _ | _ | |2 StatID |0 StatID:(DE-HGF)0510 |a OpenAccess |
| 920 | 1 | _ | |k CNI |l Center of Nanoelectronic Systems for Information Technology |d 14.09.2008 |g CNI |z 381 |0 I:(DE-Juel1)VDB381 |x 1 |
| 920 | 1 | _ | |k IFF-TH-I |l Theorie I |d 31.12.2006 |g IFF |0 I:(DE-Juel1)VDB30 |x 2 |
| 920 | 1 | _ | |k IFF-TH-III |l Theorie III |d 31.12.2006 |g IFF |0 I:(DE-Juel1)VDB32 |x 0 |
| 970 | _ | _ | |a VDB:(DE-Juel1)54726 |
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| 980 | _ | _ | |a I:(DE-Juel1)PGI-2-20110106 |
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| 999 | C | 5 | |a 10.1103/PhysRevLett.80.2626 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1007/BF02399880 |9 -- missing cx lookup -- |2 Crossref |
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| 999 | C | 5 | |a 10.1007/BF00617764 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |1 Th. Wichert |y 1999 |2 Crossref |t Semiconductors and Semimetals |o Th. Wichert Semiconductors and Semimetals 1999 |
| 999 | C | 5 | |a 10.1016/0168-583X(92)95198-Z |9 -- missing cx lookup -- |2 Crossref |
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| 999 | C | 5 | |a 10.1016/S0168-583X(98)00426-1 |9 -- missing cx lookup -- |2 Crossref |
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| 999 | C | 5 | |a 10.1103/PhysRevB.12.4383 |9 -- missing cx lookup -- |2 Crossref |
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| 999 | C | 5 | |a 10.1016/0031-8914(47)90013-X |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRev.94.1111 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1016/0038-1098(82)90641-X |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.29.703 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.37.2792 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.38.9368 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevLett.48.1425 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.50.17953 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.16.1748 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.55.4157 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.60.5202 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.52.8807 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.55.9400 |9 -- missing cx lookup -- |2 Crossref |
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