Full metadata record
DC Field | Value | Language |
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dc.contributor.author | Kang, Joongoo | - |
dc.contributor.author | Park, Ji-Sang | - |
dc.contributor.author | Stradins, Pauls | - |
dc.contributor.author | Wei, Su-Huai | - |
dc.date.available | 2017-08-10T08:09:54Z | - |
dc.date.created | 2017-08-09 | - |
dc.date.issued | 2017-07-13 | - |
dc.identifier.issn | 2469-9950 | - |
dc.identifier.uri | http://hdl.handle.net/20.500.11750/4129 | - |
dc.description.abstract | Nonequilibrium growth of Si-III-V or Si-II-VI alloys is a promising approach to obtaining optically more active Si-based materials. We propose a new class of nonisovalent Si2AlP (or Si2ZnS) alloys in which the Al-P (or Zn-S) atomic chains are as densely packed as possible in the host Si matrix. As a hybrid of the lattice-matched parent phases, Si2AlP (or Si2ZnS) provides an ideal material system with tunable local chemical orders around Si atoms within the same composition and structural motif. Here, using first-principles hybrid functional calculations, we discuss how the local chemical orders affect the electronic and optical properties of the nonisovalent alloys. | - |
dc.publisher | American Physical Society | - |
dc.title | Nonisovalent Si-III-V and Si-II-VI alloys: Covalent, ionic, and mixed phases | - |
dc.type | Article | - |
dc.identifier.doi | 10.1103/PhysRevB.96.045203 | - |
dc.identifier.scopusid | 2-s2.0-85026361489 | - |
dc.identifier.bibliographicCitation | Physical Review B, v.96, no.4 | - |
dc.subject.keywordPlus | Augmented Wave Method | - |
dc.subject.keywordPlus | Si3AlP | - |
dc.subject.keywordPlus | Superlattices | - |
dc.citation.number | 4 | - |
dc.citation.title | Physical Review B | - |
dc.citation.volume | 96 | - |
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