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Shen, Yanqing, Zhou, Zhongxiang (2008) The effect of local ordering on the structure phase transition in disordered KTa1/2Nb1/2O3 from first principles studies. Computational Materials Science, 42 (3). 434-438 doi:10.1016/j.commatsci.2007.08.004

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Reference TypeJournal (article/letter/editorial)
TitleThe effect of local ordering on the structure phase transition in disordered KTa1/2Nb1/2O3 from first principles studies
JournalComputational Materials Science
AuthorsShen, YanqingAuthor
Zhou, ZhongxiangAuthor
Year2008 (May)Volume42
Issue3
PublisherElsevier BV
DOIdoi:10.1016/j.commatsci.2007.08.004Search in ResearchGate
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Mindat Ref. ID9504919Long-form Identifiermindat:1:5:9504919:7
GUID0
Full ReferenceShen, Yanqing, Zhou, Zhongxiang (2008) The effect of local ordering on the structure phase transition in disordered KTa1/2Nb1/2O3 from first principles studies. Computational Materials Science, 42 (3). 434-438 doi:10.1016/j.commatsci.2007.08.004
Plain TextShen, Yanqing, Zhou, Zhongxiang (2008) The effect of local ordering on the structure phase transition in disordered KTa1/2Nb1/2O3 from first principles studies. Computational Materials Science, 42 (3). 434-438 doi:10.1016/j.commatsci.2007.08.004
In(2008, May) Computational Materials Science Vol. 42 (3) Elsevier BV

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Shen, Yanqing, Zhou, Zhongxiang (2008) The effect of B site cations on optical properties of paraelectric KTa1/2Nb1/2O3 crystal. Computational Materials Science, 41 (4). 542-546 doi:10.1016/j.commatsci.2007.05.020
Shen, Yanqing, Zhou, Zhongxiang, Tian, Hao, Jiang, Yongyuan (2007) The effect of B site cations on the properties of para-electric KTa1/2Nb1/2O3 crystal from first-principles calculations. Physica B: Condensed Matter, 400 (1). 212-217 doi:10.1016/j.physb.2007.07.012
Shen, Yanqing, Zhou, Zhongxiang (2008) The effect of B site cations on the electronic structure of para-electric KTa1/2Nb1/2O3 crystal. Journal of Alloys and Compounds, 466. 525-529 doi:10.1016/j.jallcom.2007.11.097
Shen, Yanqing, Wang, Wenhan, Zhou, Zhongxiang, Jiang, Yongyuan, Hou, Chunfeng (2014) The optical properties of lead-free KTa1/2Nb1/2O3:M where M=Li, Na, H, Cu, Zn. Computational Materials Science, 83. 294-297 doi:10.1016/j.commatsci.2013.11.047
Shen, Yanqing, Zhou, Zhongxiang (2012) Structural and electronic properties of oxygen vacancy in lead-free KTa1−xNbxO3: Comparative first-principles calculations. Computational Materials Science, 65. 193-196 doi:10.1016/j.commatsci.2012.07.024
Shen, Yanqing, Zhou, Zhongxiang (2008) Structural, electronic, and optical properties of ferroelectric KTa1/2Nb1/2O3 solid solutions. Journal of Applied Physics, 103 (7). 74113pp. doi:10.1063/1.2902433
Shen, Yanqing, Zhou, Zhongxiang, Wang, Wenhan, Jiang, Yongyuan, Hou, Chunfeng (2013) First-principles calculations of electronic and optical properties of lead-free KTa1−xNbxO3 under high pressure. Computational Materials Science, 68. 1-4 doi:10.1016/j.commatsci.2012.10.023
Shen, Yanqing, Zhou, Zhongxiang (2021) Erratum: “Structural, electronic, and optical properties of ferroelectric KTa1/2Nb1/2O3 solid solutions” [J. Appl. Phys. 103, 074113 (2008)]. Journal of Applied Physics, 130 (10) 109901pp. doi:10.1063/5.0067950
Shen, Yanqing, Zhou, Zhongxiang (2012) Structure and electronic properties of lead-free KTa1−xNbxO3: Accurate Wu–Cohen and screened-exchange study. Computational Materials Science, 65. 100-103 doi:10.1016/j.commatsci.2012.07.019
Hongguo, Sun, Zhongxiang, Zhou, Chengxun, Yuan, Yanqing, Shen (2011) Properties of KNTN [100] surfaces: A first-principles study. Computational Materials Science, 50 (8). 2354-2358 doi:10.1016/j.commatsci.2011.03.011
Sun, Hongguo, Zhou, Zhongxiang, Shen, Yanqing, Yuan, ChengXun (2010) The effect of B-site cations on the properties of KTaxNb1−xO3 [100] surface: A study of density functional theory. Computational Materials Science, 50 (2). 338-343 doi:10.1016/j.commatsci.2010.08.023
 
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