DC Field | Value | Language |
---|---|---|
dc.contributor.author | Bang, Junhyeok | ko |
dc.contributor.author | Chang, Kee-Joo | ko |
dc.date.accessioned | 2013-03-11T18:30:00Z | - |
dc.date.available | 2013-03-11T18:30:00Z | - |
dc.date.created | 2012-02-06 | - |
dc.date.created | 2012-02-06 | - |
dc.date.issued | 2009-07 | - |
dc.identifier.citation | JOURNAL OF THE KOREAN PHYSICAL SOCIETY, v.55, pp.98 - 102 | - |
dc.identifier.issn | 0374-4884 | - |
dc.identifier.uri | http://hdl.handle.net/10203/99913 | - |
dc.description.abstract | Using first-principles theoretical calculations, we investigate the atomic structure and the diffusion pathway and barrier of hydrogen in ZnO. We find that an interstitial H is energetically more stable at a bond-centered position than at an anti-bonding site of an O atom. We examine the stable geometry of a defect complex consisting of hydrogen and a Zn vacancy and find that the O-H bond is oriented along the c-axis in the wurtzite structure. The energy barrier for the migration of an interstitial H is around 0.4 - 0.5 eV while that for a substitutional H at an O site is about 1.7 eV, indicating that the substitutional H is thermally more stable. Kinetic Monte Carlo simulations confirm that the substitutional H diffuses Out at annealing temperatures higher than that for the interstitial H. | - |
dc.language | English | - |
dc.publisher | KOREAN PHYSICAL SOC | - |
dc.subject | P-TYPE ZNO | - |
dc.subject | PULSED-LASER DEPOSITION | - |
dc.subject | GROUP-I ELEMENTS | - |
dc.subject | THIN-FILMS | - |
dc.subject | ELECTRICAL-PROPERTIES | - |
dc.subject | DOPANT | - |
dc.subject | TEMPERATURE | - |
dc.subject | FABRICATION | - |
dc.subject | MGXZN1-XO | - |
dc.subject | EMISSION | - |
dc.title | Atomic Structure and Diffusion of Hydrogen in ZnO | - |
dc.type | Article | - |
dc.identifier.wosid | 000268023600023 | - |
dc.identifier.scopusid | 2-s2.0-69249166025 | - |
dc.type.rims | ART | - |
dc.citation.volume | 55 | - |
dc.citation.beginningpage | 98 | - |
dc.citation.endingpage | 102 | - |
dc.citation.publicationname | JOURNAL OF THE KOREAN PHYSICAL SOCIETY | - |
dc.contributor.localauthor | Chang, Kee-Joo | - |
dc.type.journalArticle | Article; Proceedings Paper | - |
dc.subject.keywordAuthor | ZnO | - |
dc.subject.keywordAuthor | Hydrogen | - |
dc.subject.keywordAuthor | n-type conductivity | - |
dc.subject.keywordAuthor | Electronic structure | - |
dc.subject.keywordPlus | P-TYPE ZNO | - |
dc.subject.keywordPlus | PULSED-LASER DEPOSITION | - |
dc.subject.keywordPlus | GROUP-I ELEMENTS | - |
dc.subject.keywordPlus | THIN-FILMS | - |
dc.subject.keywordPlus | ELECTRICAL-PROPERTIES | - |
dc.subject.keywordPlus | DOPANT | - |
dc.subject.keywordPlus | TEMPERATURE | - |
dc.subject.keywordPlus | FABRICATION | - |
dc.subject.keywordPlus | MGXZN1-XO | - |
dc.subject.keywordPlus | EMISSION | - |
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.