DC Field | Value | Language |
---|---|---|
dc.contributor.author | Song, Jung-Hwan | ko |
dc.contributor.author | Freeman, Arthur J. | ko |
dc.contributor.author | Bera, Tarun K. | ko |
dc.contributor.author | Chung, In | ko |
dc.contributor.author | Kanatzidis, Mercouri G. | ko |
dc.date.accessioned | 2013-03-12T14:19:37Z | - |
dc.date.available | 2013-03-12T14:19:37Z | - |
dc.date.created | 2013-02-19 | - |
dc.date.created | 2013-02-19 | - |
dc.date.issued | 2009-06 | - |
dc.identifier.citation | PHYSICAL REVIEW B, v.79, no.24 | - |
dc.identifier.issn | 1098-0121 | - |
dc.identifier.uri | http://hdl.handle.net/10203/102570 | - |
dc.description.abstract | Fully first-principles calculations for the second-harmonic susceptibilities of recently synthesized alkali-metal chalcogenides such as KPSe(6), K(2)P(2)Se(6), LiAsS(2), and NaAsSe(2) predict a record-breaking second-harmonic generation coefficient among materials with band gaps larger than 1.0 eV, with the highest value being that for NaAsSe(2), namely, 324.6 pm/V. A detailed analysis of their highly precise full-potential linearized augmented plane-wave electronic structures suggests that it is a quasi-one-dimensional structural anisotropy with a strong covalent character that yields the very large second-harmonic coefficients. | - |
dc.language | English | - |
dc.publisher | AMER PHYSICAL SOC | - |
dc.subject | PHASE-CHANGE PROPERTIES | - |
dc.subject | PLANE-WAVE METHOD | - |
dc.subject | ELECTRONIC-STRUCTURE | - |
dc.subject | SEMICONDUCTORS | - |
dc.subject | RB | - |
dc.title | First-principles prediction of an enhanced optical second-harmonic susceptibility of low-dimensional alkali-metal chalcogenides | - |
dc.type | Article | - |
dc.identifier.wosid | 000267699700072 | - |
dc.type.rims | ART | - |
dc.citation.volume | 79 | - |
dc.citation.issue | 24 | - |
dc.citation.publicationname | PHYSICAL REVIEW B | - |
dc.identifier.doi | 10.1103/PhysRevB.79.245203 | - |
dc.contributor.localauthor | Chung, In | - |
dc.contributor.nonIdAuthor | Song, Jung-Hwan | - |
dc.contributor.nonIdAuthor | Freeman, Arthur J. | - |
dc.contributor.nonIdAuthor | Bera, Tarun K. | - |
dc.contributor.nonIdAuthor | Kanatzidis, Mercouri G. | - |
dc.type.journalArticle | Article | - |
dc.subject.keywordAuthor | ab initio calculations | - |
dc.subject.keywordAuthor | APW calculations | - |
dc.subject.keywordAuthor | arsenic compounds | - |
dc.subject.keywordAuthor | electronic structure | - |
dc.subject.keywordAuthor | lithium compounds | - |
dc.subject.keywordAuthor | optical harmonic generation | - |
dc.subject.keywordAuthor | phosphorus compounds | - |
dc.subject.keywordAuthor | potassium compounds | - |
dc.subject.keywordAuthor | selenium compounds | - |
dc.subject.keywordAuthor | semiconductor materials | - |
dc.subject.keywordAuthor | sodium compounds | - |
dc.subject.keywordAuthor | sulphur compounds | - |
dc.subject.keywordPlus | PHASE-CHANGE PROPERTIES | - |
dc.subject.keywordPlus | PLANE-WAVE METHOD | - |
dc.subject.keywordPlus | ELECTRONIC-STRUCTURE | - |
dc.subject.keywordPlus | SEMICONDUCTORS | - |
dc.subject.keywordPlus | RB | - |
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