| GaAs饱和吸收体的弹性性质的第一性原理 |
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| 引用本文： | 唐文婧,李德春,赵圣之,李桂秋,杨克建.GaAs饱和吸收体的弹性性质的第一性原理[J].红外与激光工程,2011,40(10):1881-1885. |
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| 作者姓名： | 唐文婧 李德春 赵圣之 李桂秋 杨克建 |
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| 作者单位： | 山东大学信息科学与工程学院,山东济南,250100 |
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| 基金项目： | 国家科技重大专项(2008ZX05011); 国家自然科学基金(60876056) |
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| 摘 要： | 基于密度泛函理论的平面波赝势方法,运用Castep软件研究了带有不同本征点缺陷的GaAs饱和吸收体的晶格常数和弹性性质,得到了在不同的点缺陷影响下的GaAs晶体的弹性常数,并采用Voigt-Reuss-Hill方法计算得到相应的体积弹性模量B、剪切模量G,并与理想GaAs晶体的弹性模量数值进行对比.本征点缺陷的存在破坏...
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| 关 键 词： | 弹性性质 GaAs饱和吸收体 本征点缺陷 Castep软件 |
First principle of the elastic property of GaAs saturable absorbers |
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| Tang Wenjing,Li Dechun,Zhao Shengzhi,Li Guiqiu,Yang Kejian.First principle of the elastic property of GaAs saturable absorbers[J].Infrared and Laser Engineering,2011,40(10):1881-1885. |
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| Authors: | Tang Wenjing Li Dechun Zhao Shengzhi Li Guiqiu Yang Kejian |
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| Affiliation: | Tang Wenjing,Li Dechun,Zhao Shengzhi,Li Guiqiu,Yang Kejian(School of Information Science and Engineering,Shandong University,Jinan 250100,China) |
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| Abstract: | The lattice constants and elastic properties of GaAs saturable absorber with different intrinsic point defects were studied by the plane-wave pseudopotential method based on density functional theory(DFT) with Cambridge serial total energy package(Castep) program.The elastic constants of GaAs crystal with different intrinsic point defects were obtained.The bulk elastic modulus(B) and the shear modulus(G) were calculated from the theoretical elastic constants by Voigt-Reuss-Hill averaging scheme.The differen... |
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| Keywords: | elastic propertie GaAs saturable absorber intrinsic point defects Castep software |
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