Gast ::
| Hauptseite > Publikationsdatenbank > Vacancy-complexes with oversized impurities in Si and Ge > print |
| Hauptseite > Publikationsdatenbank > Vacancy-complexes with oversized impurities in Si and Ge > print |
| 001 | 44244 | ||
| 005 | 20230426083054.0 | ||
| 017 | _ | _ | |a This version is available at the following Publisher URL: http://prb.aps.org |
| 024 | 7 | _ | |a 10.1103/PhysRevB.71.035212 |2 DOI |
| 024 | 7 | _ | |a WOS:000226735900063 |2 WOS |
| 024 | 7 | _ | |a 2128/1406 |2 Handle |
| 037 | _ | _ | |a PreJuSER-44244 |
| 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 Vacancy-complexes with oversized impurities in Si and Ge |
| 260 | _ | _ | |a College Park, Md. |b APS |c 2005 |
| 300 | _ | _ | |a 035212 |
| 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 71 |
| 500 | _ | _ | |a Record converted from VDB: 12.11.2012 |
| 520 | _ | _ | |a In this paper we examine the electronic and geometrical structure of impurity-vacancy complexes in Si and Ge. Already Watkins suggested that in Si the pairing of Sn with the vacancy produces a complex with the Sn-atom at the bond center and the vacancy split into two half vacancies on the neighboring sites. Within the framework of density-functional theory we use two complementary ab initio methods, the pseudopotential-plane-wave method and the all-electron Kohn-Korringa-Rostoker method, to investigate the structure of vacancy complexes with 11 different sp-impurities. For the case of Sn in Si, we confirm the split configuration and obtain good agreement with EPR data of Watkins. In general we find that all impurities of the 5sp and 6sp series in Si and Ge prefer the split-vacancy configuration, with an energy gain of 0.5-1 eV compared to the substitutional complex. On the other hand, impurities of the 3sp and 4sp series form a (slightly distorted) substitutional complex. Al impurities show an exception from this rule, forming a split complex in Si and a strongly distorted substitutional complex in Ge. We find a strong correlation of these data with the size of the isolated impurities, being defined via the lattice relaxations of the nearest neighbors. |
| 536 | _ | _ | |a Kondensierte Materie |c M02 |2 G:(DE-HGF) |0 G:(DE-Juel1)FUEK242 |x 0 |
| 542 | _ | _ | |i 2005-01-21 |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.71.035212 |b American Physical Society (APS) |d 2005-01-21 |n 3 |p 035212 |3 journal-article |2 Crossref |t Physical Review B |v 71 |y 2005 |x 1098-0121 |
| 773 | _ | _ | |a 10.1103/PhysRevB.71.035212 |g Vol. 71, p. 035212 |p 035212 |n 3 |q 71<035212 |0 PERI:(DE-600)2844160-6 |t Physical review / B |v 71 |y 2005 |x 1098-0121 |
| 856 | 7 | _ | |u http://dx.doi.org/10.1103/PhysRevB.71.035212 |u http://hdl.handle.net/2128/1406 |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/44244/files/63589.pdf |y OpenAccess |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/44244/files/63589.jpg?subformat=icon-1440 |x icon-1440 |y OpenAccess |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/44244/files/63589.jpg?subformat=icon-180 |x icon-180 |y OpenAccess |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/44244/files/63589.jpg?subformat=icon-640 |x icon-640 |y OpenAccess |
| 909 | C | O | |o oai:juser.fz-juelich.de:44244 |p openaire |p open_access |p driver |p VDB |p dnbdelivery |
| 913 | 1 | _ | |k M02 |v Kondensierte Materie |l Kondensierte Materie |b Materie |0 G:(DE-Juel1)FUEK242 |x 0 |
| 914 | 1 | _ | |y 2005 |
| 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)63589 |
| 980 | _ | _ | |a VDB |
| 980 | _ | _ | |a JUWEL |
| 980 | _ | _ | |a ConvertedRecord |
| 980 | _ | _ | |a journal |
| 980 | _ | _ | |a I:(DE-Juel1)VDB381 |
| 980 | _ | _ | |a I:(DE-Juel1)PGI-1-20110106 |
| 980 | _ | _ | |a I:(DE-Juel1)PGI-2-20110106 |
| 980 | _ | _ | |a UNRESTRICTED |
| 980 | _ | _ | |a FullTexts |
| 980 | 1 | _ | |a FullTexts |
| 981 | _ | _ | |a I:(DE-Juel1)PGI-1-20110106 |
| 981 | _ | _ | |a I:(DE-Juel1)PGI-2-20110106 |
| 999 | C | 5 | |a 10.1103/PhysRevB.12.4383 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.62.4535 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.64.245213 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.70.155313 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.69.085213 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.21.4939 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1016/0375-9601(80)90506-X |9 -- missing cx lookup -- |1 G. Weyer |p 321 - |2 Crossref |t Phys. Lett. |v 76A |y 1980 |
| 999 | C | 5 | |a 10.1139/p80-159 |9 -- missing cx lookup -- |1 S. H. Vosko |p 1200 - |2 Crossref |t Can. J. Phys. |v 58 |y 1980 |
| 999 | C | 5 | |a 10.1103/PhysRevB.29.703 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1088/0953-8984/14/11/304 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1143/PTPS.101.11 |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 | |1 R. Berger |y 2000 |2 Crossref |t Proceedings of the NIC-Workshop “Molecular Dynamics on parallel Computers” |o R. Berger Proceedings of the NIC-Workshop “Molecular Dynamics on parallel Computers” 2000 |
| 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 10.1016/0038-1098(82)90320-9 |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 |
| 999 | C | 5 | |a 10.1103/PhysRevB.61.2657 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1088/0022-3719/21/31/008 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.55.12572 |9 -- missing cx lookup -- |1 A. Svane |p 12 - |2 Crossref |t Phys. Rev. B |v 55 |y 1997 |
| 999 | C | 5 | |a 10.1103/RevModPhys.36.339 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |1 L. Pauling |y 1960 |2 Crossref |t The Nature of the Chemical Bond and the Structure of Molecules and Crystals |o L. Pauling The Nature of the Chemical Bond and the Structure of Molecules and Crystals 1960 |
| Library | Collection | CLSMajor | CLSMinor | Language | Author |
|---|