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Molecular Dynamics And Density Functional Studies Of A Body-Centered-Tetragonal Polymorph Of Zno | |
Wang J![]() ![]() | |
Source Publication | Physical Review B
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2007 | |
ISSN | 1098-0121 |
Abstract | We report a previously unknown body-centered-tetragonal structure for ZnO. This structure results from a phase transformation from wurtzite in [0001]-oriented nanorods during uniaxial tensile loading and is the most stable phase for ZnO when stress is above 7 GPa. The stress-induced phase transformation has important implications for the electronic, piezoelectric, mechanical, and thermal responses of ZnO. The discovery of this polymorph brings about a more complete understanding of the extent and nature of polymorphism in ZnO. A crystalline structure-load triaxiality map is developed to summarize the relationship between structure and loading. |
Keyword | Semiconducting Oxide Nanobelts |
DOI | 10.1103/PhysRevB.76.172103 |
Indexed By | SCI |
Language | 英语 |
WOS ID | WOS:000251326600003 |
WOS Keyword | SEMICONDUCTING OXIDE NANOBELTS |
WOS Research Area | Physics |
WOS Subject | Physics, Condensed Matter |
Citation statistics | |
Document Type | 期刊论文 |
Identifier | http://dspace.imech.ac.cn/handle/311007/25526 |
Collection | 力学所知识产出(1956-2008) |
Corresponding Author | Zhou, M (reprint author), Beihang Univ, Dept Phys, Beijing 100083, Peoples R China. |
Recommended Citation GB/T 7714 | Wang J,Kulkarni AJ,Sarasamak K,et al. Molecular Dynamics And Density Functional Studies Of A Body-Centered-Tetragonal Polymorph Of Zno[J]. Physical Review B,2007. |
APA | Wang J.,Kulkarni AJ.,Sarasamak K.,Limpijumnong S.,柯孚久.,...&Zhou, M .(2007).Molecular Dynamics And Density Functional Studies Of A Body-Centered-Tetragonal Polymorph Of Zno.Physical Review B. |
MLA | Wang J,et al."Molecular Dynamics And Density Functional Studies Of A Body-Centered-Tetragonal Polymorph Of Zno".Physical Review B (2007). |
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