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First-principles study on the effect of Ge-doping on the conductivity of InI

Wang Yong-Zhen Xu Zhao-Peng Zhang Wen-Xiu Zhang Xin Wang Qian Zhang Lei

First-principles study on the effect of Ge-doping on the conductivity of InI

Wang Yong-Zhen, Xu Zhao-Peng, Zhang Wen-Xiu, Zhang Xin, Wang Qian, Zhang Lei
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  • The conductivities of InI with different concentrations of Ge-doping have been investigated by the ultra-soft pseudopotential approach of the plane-wave based on the density functional theory under the same condition. Models of the In1-xGexI (x=0, 0.125, 0.25) with In atoms substituted by different fraction of Ge are set up. The optimized structural parameters, total electron density of states, and energy band structures of Ge heavily doped In1-xGexI semiconductors at low temperature are calculated. Results show that the volumes are slightly reduced and the total energies are increased in the In1-xGexI systems and that the systems become instable. As the concentration of Ge increases, the electronic mobility decreases, but the relative number of electrons jumping to the conduction band increases, and the resistivity and the minimum optical band gap increase at the same time, which is beneficial to improving the performance of nuclear detection in the system.
    • Funds: Project supported by the Key Basic Research Project of the Applied Basic Research Programs of Hebei Province, China (Grant No. 13961103D), the Innovation Project of the 46th Research Institute of China Electronics Technology Group Corporation, China (Grant No. CJ20120208), the High-level Talents Funded Projects of Hebei Province, China (Grant No. C2013003040), and the Young Teachers Independent Research Projects of Yanshan University, China (Grant No. 13LGA011).
    [1]

    Jones R E, Templeton D H 1955 Acta Cryst. 8 847

    [2]

    Kolinko M I 1994 J. Phys.: Condens. Matter 6 183

    [3]

    Shah K S, Moy L P, Zhang J, Misra M M, Moses W W 1992 Proc. SPIE 1734 161

    [4]

    Oondera T, Hitomi K, Shoji T 2006 IEEE Trans. Nucl. Sci. 53 3055

    [5]

    Nicoara I, Dicoara N, Bertorello C, Slack G A, Ostrogorsky A G, Groza M, Burger A 2011 Mater. Res. Soc. Symp. Proc. 1341 95

    [6]

    Hossain A, Kim K, Bolotnikov A E, Camarda G S, Gul R, Yang G, James R B 2013 SORMA West Proceeding Oakland, USA, May 13-17, 2012 pp5-20

    [7]

    Zhang W, Xu Z P, Wang H Y, Chen F H, He C 2013 Acta Phys. Sin. 62 243101 (in Chinese) [张伟, 徐朝鹏, 王海燕, 陈飞鸿, 何畅 2013 物理学报 62 243101]

    [8]

    Xu Z P, Wang Y Z, Zhang W, Wang Q, Wu G Q 2014 Acta Phys. Sin. 63 147102 (in Chinese) [徐朝鹏, 王永贞, 张伟, 王倩, 吴国庆 2014 物理学报 63 147102]

    [9]

    Di Lieto A 2003 Opt. Lasers Eng. 39 309

    [10]

    Li X L, Chen J J 2011 Metall. Funct. Mater. 18 44 (in Chinese) [李学良, 陈洁洁 2011 金属功能材料 18 44]

    [11]

    Lumb D H, Owens A, Bacdaz M, Peacock T 2006 Nucl. Meth. Phys. Res. Sect. A 568 427

    [12]

    Luke P N, Amman M, Tindall C, Lee J S 2005 J. Radioanal. Nucl. Chem. 264 145

    [13]

    Feng Q, Yue Y X, Wang W H, Zhu H Q 2014 Chin. Phys. B 23 043101

    [14]

    Chen X R, Sun L L, Gou Q Q, Ji G F 2009 Chin. Phys. Lett. 26 017101

    [15]

    Jiang X F, Liu X F, Wu Y Z, Han J R 2012 Chin. Phys. B 21 077502

    [16]

    Perdew J P, Chevary J A, Vosko S H 1992 Phys. Rev. B 46 6671

    [17]

    Liu E K, Zhu B S, Luo J S 2003 Semiconductor Physics (6th Ed.) (Beijing: Publishing House of Electronics Industry) pp111, 129 (in Chinese) [刘恩科, 朱秉升, 罗晋生 2003 半导体物理学 (第六版) (北京: 电子工业出版社)第111, 129页]

    [18]

    Zhang M, Zhang C H, Shen J 2011 Chin. Phys. B 20 017101

    [19]

    Hou Q Y, Liu Q L, Zhao C W, Zhao E J 2014 Acta Phys. Sin. 63 057101 (in Chinese) [侯清玉, 刘全龙, 赵春旺, 赵二俊 2014 物理学报 63 057101]

    [20]

    Liu E K, Zhu B S, Luo J S 1998 Semiconductor Physics (1st Ed.) (Xi'an: Xi'an Jiaotong University Press) p78 (in Chinese) [刘恩科, 朱秉升, 罗晋生 1998 半导体物理学 (第一版)(西安: 西安交通大学出版社) 第78页]

    [21]

    Ji Z G 2005 Semiconductor Physics (Hangzhou: Zhejiang University Publishing House) p134 (in Chinese) [季振国 2005半导体物理 (杭州: 浙江大学出版社)第134页]

  • [1]

    Jones R E, Templeton D H 1955 Acta Cryst. 8 847

    [2]

    Kolinko M I 1994 J. Phys.: Condens. Matter 6 183

    [3]

    Shah K S, Moy L P, Zhang J, Misra M M, Moses W W 1992 Proc. SPIE 1734 161

    [4]

    Oondera T, Hitomi K, Shoji T 2006 IEEE Trans. Nucl. Sci. 53 3055

    [5]

    Nicoara I, Dicoara N, Bertorello C, Slack G A, Ostrogorsky A G, Groza M, Burger A 2011 Mater. Res. Soc. Symp. Proc. 1341 95

    [6]

    Hossain A, Kim K, Bolotnikov A E, Camarda G S, Gul R, Yang G, James R B 2013 SORMA West Proceeding Oakland, USA, May 13-17, 2012 pp5-20

    [7]

    Zhang W, Xu Z P, Wang H Y, Chen F H, He C 2013 Acta Phys. Sin. 62 243101 (in Chinese) [张伟, 徐朝鹏, 王海燕, 陈飞鸿, 何畅 2013 物理学报 62 243101]

    [8]

    Xu Z P, Wang Y Z, Zhang W, Wang Q, Wu G Q 2014 Acta Phys. Sin. 63 147102 (in Chinese) [徐朝鹏, 王永贞, 张伟, 王倩, 吴国庆 2014 物理学报 63 147102]

    [9]

    Di Lieto A 2003 Opt. Lasers Eng. 39 309

    [10]

    Li X L, Chen J J 2011 Metall. Funct. Mater. 18 44 (in Chinese) [李学良, 陈洁洁 2011 金属功能材料 18 44]

    [11]

    Lumb D H, Owens A, Bacdaz M, Peacock T 2006 Nucl. Meth. Phys. Res. Sect. A 568 427

    [12]

    Luke P N, Amman M, Tindall C, Lee J S 2005 J. Radioanal. Nucl. Chem. 264 145

    [13]

    Feng Q, Yue Y X, Wang W H, Zhu H Q 2014 Chin. Phys. B 23 043101

    [14]

    Chen X R, Sun L L, Gou Q Q, Ji G F 2009 Chin. Phys. Lett. 26 017101

    [15]

    Jiang X F, Liu X F, Wu Y Z, Han J R 2012 Chin. Phys. B 21 077502

    [16]

    Perdew J P, Chevary J A, Vosko S H 1992 Phys. Rev. B 46 6671

    [17]

    Liu E K, Zhu B S, Luo J S 2003 Semiconductor Physics (6th Ed.) (Beijing: Publishing House of Electronics Industry) pp111, 129 (in Chinese) [刘恩科, 朱秉升, 罗晋生 2003 半导体物理学 (第六版) (北京: 电子工业出版社)第111, 129页]

    [18]

    Zhang M, Zhang C H, Shen J 2011 Chin. Phys. B 20 017101

    [19]

    Hou Q Y, Liu Q L, Zhao C W, Zhao E J 2014 Acta Phys. Sin. 63 057101 (in Chinese) [侯清玉, 刘全龙, 赵春旺, 赵二俊 2014 物理学报 63 057101]

    [20]

    Liu E K, Zhu B S, Luo J S 1998 Semiconductor Physics (1st Ed.) (Xi'an: Xi'an Jiaotong University Press) p78 (in Chinese) [刘恩科, 朱秉升, 罗晋生 1998 半导体物理学 (第一版)(西安: 西安交通大学出版社) 第78页]

    [21]

    Ji Z G 2005 Semiconductor Physics (Hangzhou: Zhejiang University Publishing House) p134 (in Chinese) [季振国 2005半导体物理 (杭州: 浙江大学出版社)第134页]

  • [1] Hu Xiaoliang, Liang Hong, Wang Huili. Lattice Boltzmann method simulations of the immiscible Rayleigh-Taylor instability with high Reynolds numbers. Acta Physica Sinica, 2020, 69(4): 1-10. doi: 10.7498/aps.69.20191504
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Publishing process
  • Received Date:  09 July 2014
  • Accepted Date:  23 July 2014
  • Published Online:  05 December 2014

First-principles study on the effect of Ge-doping on the conductivity of InI

  • 1. School of Information Science and Engineering, Key Laboratory for Special Fiber and Fiber Sensor of Hebei Province, Yanshan University, Qinhuangdao 066004, China
Fund Project:  Project supported by the Key Basic Research Project of the Applied Basic Research Programs of Hebei Province, China (Grant No. 13961103D), the Innovation Project of the 46th Research Institute of China Electronics Technology Group Corporation, China (Grant No. CJ20120208), the High-level Talents Funded Projects of Hebei Province, China (Grant No. C2013003040), and the Young Teachers Independent Research Projects of Yanshan University, China (Grant No. 13LGA011).

Abstract: The conductivities of InI with different concentrations of Ge-doping have been investigated by the ultra-soft pseudopotential approach of the plane-wave based on the density functional theory under the same condition. Models of the In1-xGexI (x=0, 0.125, 0.25) with In atoms substituted by different fraction of Ge are set up. The optimized structural parameters, total electron density of states, and energy band structures of Ge heavily doped In1-xGexI semiconductors at low temperature are calculated. Results show that the volumes are slightly reduced and the total energies are increased in the In1-xGexI systems and that the systems become instable. As the concentration of Ge increases, the electronic mobility decreases, but the relative number of electrons jumping to the conduction band increases, and the resistivity and the minimum optical band gap increase at the same time, which is beneficial to improving the performance of nuclear detection in the system.

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