PDF下载 分享
[1]侯博仁,虞 游.CdGeAs2晶体热力性质的第一性原理研究[J].成都信息工程大学学报,2021,36(02):238-243.[doi:10.16836/j.cnki.jcuit.2021.02.017]
 HOU Boren,YU You.First-principles Study of the Thermodynamic Properties of CdGeAs2[J].Journal of Chengdu University of Information Technology,2021,36(02):238-243.[doi:10.16836/j.cnki.jcuit.2021.02.017]
点击复制

CdGeAs2晶体热力性质的第一性原理研究

参考文献/References:

[1] Byer R L,Kildal H,Feigelson R S.CdGeAs2-A new nonlinear crystal phasematchable at 10.6 μm[J].Applied Physics Letters,1971,19(7):237-240.
[2] Schunemann P G,Pollak T M.Single crystal growth of large, crack-free CdGeAs2[J]. Journal of Crystal Growth,1997,174(1/4):272-277.
[3] Feigelson R S,Route R K,Swarts H W.Solution growth of CdGeAs2[J].Journal of Crystal Growth,1975,28(1):138-144.
[4] Feigelson R S,Route R K.Vertical bridgman growth of CdGeAs2 with control of interface shape and orientation[J].Journal of Crystal Growth,1980,49(2):261-273.
[5] Baumgartner F,Lux-Steiner M,Bucher E. Growth of CdGeAs2 single crystals by the chemical vapor transport method[J].Journal of Electronic Materials,1990,19(8):777-781.
[6] Labrie D.Characterization of CdGeAs2 growth by the float zone technique under microgravity[J].Journal of Crystal Growth,2000,208(1):379-388.
[7] Zhu C Q.Two-temperature synthesis of non-linear optical compound CdGeAs2[J].Journal of Crystal Growth,2016,455:129-135.
[8] 朱崇强,杨春晖,孙亮.非线性光学晶体CdGeAs2点缺陷的研究[J].化学进展,2010,22(2):315-321.
[9] 戚鸣,吴海信,王振友,等.红外非线性晶体CdGeAs2多晶合成[J].人工晶体学报,2016,45(4):868-891.
[10] Liu W.X-ray study of thermal expansion behaviors and Grüneisen parameters cadmium germanium arsenide crystal over the temperature range 25-450 ℃[J].Journal of Applied Physics,2013,114(5).
[11] Huang W.Vibrational modes of chalcopyrite CdGeAs2 crystal[J].Materials Research Bulletin,2016,81:107-113.
[12] Huang W.Correlation between dislocation etch pits,carrier concentration and optical absorption in CdGeAs2 grown by modified Vertical Bridgman method [J].Journal of Alloys and Compounds,2016,656:818-824.
[13] Neumann H.Trends in the thermal expansion coefficients of the AIBIIIC2VI and AIIBIVC2V chalcopyrite compounds[J].Kristall und Technik,1980,15(7):849-857.
[14] Zapol P.Density functional study of the structure, thermodynamics and electronic properties of CdGeAs2[J].Journal of Physics:Condensed Matter,1999,11(23):4517-4526.
[15] Kumar V,Sastry B S R.Relationship between the thermal expansion coefficient, plasmom energy,and bond length of ternary chalcopyrite semiconductors[J].Journal of Physics and Chemistry of Solids,2002,63(1):107-112.
[16] Yu Y.Theoretical study of elastic and thermodynamic properties of chalcopyrite CdGeAs2[J].Physica B:Condensed Matter,2013,417:83-90.
[17] Hohenberg P,Kohn W.Inhomogeneous Electron Gas[J].Physical Review,1964,136(3B):864-871.
[18] S Baroni.Phonons and related crystal properties from density-functional perturbation theory[J].Reviews of Modern Physics,2001,73(2):515-562.
[19] Jaffe J E,Zunger A.Theory of the band-gap anomaly in ABC2 chalcopyrite semiconductors[J].Physical Review B,1984,29(4):1882-1906.
[20] Kresse G,Furthmüllerb J.Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set[J].Physical Review B,1996,54(16):15-50.
[21] Perdew J P.Generalized gradient approximation made simple[J].Physical review letters,1996,77(18):3865-3868.
[22] Pfister H.Kristallstruktur von ternaren Verbindungen der Art AIIBIVCV [J]. Acta Crystallographica,1958,11:221-224.
[23] Abrahams S C,Bernstein J L.Piezoelectric nonlinear optic CuGaSe2 and CdGeAs2 Crystal structure,chalcopyrite microhardness,and sublattice distortion[J].The Journal of Chemical Physics,1974,61(3):1140-1146.
[24] Pandey R.A theoretical study of native acceptors in CdGeAs2 [J].Journal of Physics:Condensed Matter,1998,10(25):5525-5533.
[25] Pascual J.Alternating anion-cation bond strengths in CdGeAs2:Application to the family of ternary pnictides[J].Physical Review B,1991,43(12):9831-9842.
[26] Holah G D.Polarised infrared reflectivity of CdGeAs2[J].Solid State Communications,1977,23(1):75-78.
[27] Artus L.Polarized IR reflectivity of CdGeAs2 [J].Materials Science and Engineering:B,1990,5(2):239-242.
[28] Antropova E V,et al.Phonon spectrum and ir optical properties of CdGeAs2[J].Optics and Spectroscopy,1988,64(6):766-768.
[29] Tyuterev V G,Skachkov S I.Lattice Dynamics, Thermodynamic and Elastic Properties of CdGeAs2[J].Il Nuovo Cimento D,1992,14(1):1097-1103.
[30] Artus L,Pascual J.Bond-length dependence of phonon frequencies in tetrahedrally coordinated semiconductors[J].Journal of Physics: Condensed Matter, 1992, 4(26): 5835-5844.
[31] Lee C,Gonze X.Ab initio calculation of the thermodynamic properties and atomic temperature factors of SiO2 α-quartz and stishovite[J].Physical Review B,1995,51(13):8610-8613.
[32] Weaire D,Noolandi J.The structure of chalcopyrite semiconductors[J].Journal of Physics Colloques,1975,36(C3):27-29.

相似文献/References:

[1]虞 游,孙 健,赵国栋,等.Al掺杂ZnO电子结构及光学性质研究[J].成都信息工程大学学报,2016,(05):544.
 YU You,SUN Jian,ZHAO Guo-dong,et al.Study of the Electronic Structure and Optical Properties of ZnO Doped with Al[J].Journal of Chengdu University of Information Technology,2016,(02):544.
[2]李叶古,沈艳红,虞 游,等.钨钼合金的电子结构和光学性质的研究[J].成都信息工程大学学报,2024,39(01):108.[doi:10.16836/j.cnki.jcuit.2024.01.016]
 LI Yegu,SHEN Yanhong,YU You,et al.Research on Electronic Structures and Optical Properties of W-Mo Alloys[J].Journal of Chengdu University of Information Technology,2024,39(02):108.[doi:10.16836/j.cnki.jcuit.2024.01.016]

备注/Memo

收稿日期:2020-08-01
基金项目:国家自然科学基金资助项目(11704049)

更新日期/Last Update: 2021-04-30