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Nonisovalent Si-III-V and Si-II-VI alloys: Covalent, ionic, and mixed phases

Title
Nonisovalent Si-III-V and Si-II-VI alloys: Covalent, ionic, and mixed phases
Authors
Kang, JoongooPark, Ji-SangStradins, PaulsWei, Su-Huai
DGIST Authors
Kang, Joongoo
Issue Date
2017-07-13
Citation
Physical Review B, 96(4)
Type
Article
Article Type
Article
Keywords
Augmented Wave MethodSi3AlPSuperlattices
ISSN
2469-9950
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.
URI
http://hdl.handle.net/20.500.11750/4129
DOI
10.1103/PhysRevB.96.045203
Publisher
American Physical Society
Files:
There are no files associated with this item.
Collection:
Emerging Materials ScienceETC1. Journal Articles
ETC1. Journal Articles


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