DC Field | Value | Language |
---|---|---|
dc.contributor.author | Jwa, Sanghun | ko |
dc.contributor.author | Bang, Junhyeok | ko |
dc.contributor.author | Chang, Kee-Joo | ko |
dc.date.accessioned | 2013-03-11T18:28:07Z | - |
dc.date.available | 2013-03-11T18:28:07Z | - |
dc.date.created | 2012-02-06 | - |
dc.date.created | 2012-02-06 | - |
dc.date.created | 2012-02-06 | - |
dc.date.issued | 2009-08 | - |
dc.identifier.citation | PHYSICAL REVIEW B, v.80, no.7, pp.075206 - 075206 | - |
dc.identifier.issn | 1098-0121 | - |
dc.identifier.uri | http://hdl.handle.net/10203/99908 | - |
dc.description.abstract | We investigate the atomic structure and electronic properties of various defect configurations which consist of B and C atoms in Si predoped with C impurities through first-principles density-functional calculations. In the absence of Si self-interstitials (I's), substitutional B and C atoms interact repulsively with each other, implying that B-C pairs at neighboring substitutional sites do not behave as a trap for B dopants. For I-B-C complexes, which can be formed in the presence of self-interstitials, we find that a C-B split interstitial, where the B and C atoms share a single lattice site along the (001) axis, is the most stable configuration. For several diffusion pathways, along which the B dopant diffuses from the C-B split-interstitial configuration with the (001) orientation to nearby tetrahedral and hexagonal sites, we find very high migration energies of about 3 eV. Thus, the diffusing B atom can be easily trapped in the neighborhood of C, resulting in the reduction in the B diffusivity. The range of the C trap potential is estimated to be about 7 angstrom. We also examine the diffusion of C from the stable C-B split interstitial, leaving the B dopant at a substitutional site, and find the migration energy to be much reduced to 2.16 eV. This result indicates that, as the C atom is dissociated, it acts as a trap for self-interstitials, leading to the reduction in self-interstitials which are available for B diffusion. In this case, the suppression of the B diffusivity is still expected, without degrading the electrical activity of the B dopants. | - |
dc.language | English | - |
dc.publisher | AMER PHYSICAL SOC | - |
dc.title | Chemical bonding and diffusion of B dopants in C-predoped Si | - |
dc.type | Article | - |
dc.identifier.wosid | 000269638900050 | - |
dc.identifier.scopusid | 2-s2.0-70249149378 | - |
dc.type.rims | ART | - |
dc.citation.volume | 80 | - |
dc.citation.issue | 7 | - |
dc.citation.beginningpage | 075206 | - |
dc.citation.endingpage | 075206 | - |
dc.citation.publicationname | PHYSICAL REVIEW B | - |
dc.identifier.doi | 10.1103/PhysRevB.80.075206 | - |
dc.contributor.localauthor | Chang, Kee-Joo | - |
dc.description.isOpenAccess | N | - |
dc.type.journalArticle | Article | - |
dc.subject.keywordPlus | KICK-OUT MECHANISM | - |
dc.subject.keywordPlus | BORON-DIFFUSION | - |
dc.subject.keywordPlus | AB-INITIO | - |
dc.subject.keywordPlus | ANOMALOUS DIFFUSION | - |
dc.subject.keywordPlus | INTERSTITIAL CARBON | - |
dc.subject.keywordPlus | SILICON | - |
dc.subject.keywordPlus | 1ST-PRINCIPLES | - |
dc.subject.keywordPlus | IMPLANTATION | - |
dc.subject.keywordPlus | CODIFFUSION | - |
dc.subject.keywordPlus | SI1-XGEX | - |
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