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《Journal of Southwest China Normal University(Natural Science Edition)》 2014-05
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On First-Principles Calculations of Optical and Thermodynamic Properties of LiNbO_3

MA Tian-hui;College of Materials and Chemical Engineering,Heilongjiang Institute of Technology;  
First-principles calculations of electronic structure,lattice dynamic and thermodynamic properties of LiNbO3have been performed in plane-wave pseudopotential method.The effect of doping anti-scattering ions Mg2+and Sc3+on optical properties has been analyzed.It is shown that the heat capacity at constant volume of the LiNbO3crystal is 22J/mol·K at room temperature and the Debye temperature reachs 772at 600K.The optical properties are changed obviously when the anti-scattering ions Mg2+or Sc3+are doped in LiNbO3crystal,the zero frequency limit of dielectric constant is reduced from 4.8to 3. 7and the zero frequency limit of refractive index n0is decreased from 2.2to 1.9.
【Fund】: 黑龙江省教育厅青年学术骨干项目(1252G061)
【CateGory Index】: O614.111
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【Citations】
Chinese Journal Full-text Database 1 Hits
1 WU Lun-sheng Chongqing Youth Vocational and Technical College,Chingqing 400712,China;Study on Electrical Conductivity of Lithium Niobate[J];西南师范大学学报(自然科学版);2011-06
【Co-citations】
Chinese Journal Full-text Database 1 Hits
1 MA Tian-hui;College of Materials and Chemical Engineering,Heilongjiang Institute of Technology;;On First-Principles Calculations of Optical and Thermodynamic Properties of LiNbO_3[J];西南师范大学学报(自然科学版);2014-05
【Secondary Citations】
Chinese Journal Full-text Database 2 Hits
1 LiNbO3 CrystalsZHU Deng-song, CHEN Xiao-jun, LI Bing, WU Zhong-kang, CHEN Ping, CHEN Shao-ln,HUANG Zi-heng(Department of physics, Nankai university, Tianjin 300071,China);Photorefractive Properties of Reduced Near-stoichiometric[J];哈尔滨理工大学学报;2002-06
2 Lei Deming Li Jingde Chen Shaofen (Department of Physics,Zhongshan University,Guangzhou);Surface and Body Resistance of Lithium Niobate Single Crystal[J];无机材料学报;1990-03
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