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Using first-principles calculations based on density functional theory, we investigate the electronic structures and optical properties of germanium doped by phosphorus and bismuth with different concentrations. By analyzing the electronic structures and optical properties of the doped systems, we can theoretically analyze and predict the optical and electrical practical applications of N-doped germanium semiconductors. By analyzing and comparing the densities of electronic states before and after doped, we can draw some conclusions. The conclusions show that the Fermi level moves in the direction of conduction band after being doped. Although germanium is an indirect band gap luminescent material, the doped systems all become direct band gap luminescence. Doping more or less affects various optical properties in different energy ranges. In a low energy range, the dielectric function and refractive index of the doped systems are affected. When the doping concentration is 2.083%, the dielectric function and refractive index of the doped system both have a special change. And the absorption of the doped system is changed in the high energy. As the energy increases after the absorption peak, the absorption of the doped system drops faster. The reflectance of the doped system is affected in all the energy ranges. The reflectance of the doped system increases in medium energy. And the reflectance of the doped system is reduced in low energy and high energy range. However, when the doping concentration is 2.083% and the energy is less than 1.7 eV, the reflectance of the doped system is higher than that of the undoped system. The conductivity of the doped system forms two peaks, adding a peak in low energy. The additional peaks in the systems where the doping concentrations are 1.563% and 2.083% are obvious. The peak of the loss function increases after being doped. However, as the doping concentration increases, the increment of the loss function decreases. As the doping concentration increases, the peak is formed at a higher energy. The conclusions are of significance for guiding the optical applications of N-type doped germanium. According to the conclusions, we can adjust the doping concentration and energy range in the optical applications of N-doped germanium.
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Keywords:
- germanium /
- N-type doping /
- optical properties
[1] Sharafi Z, Mohyeddine S, Mohammed S O, Kershi R M, Ravindra R P 2014 Phys. Res. Int. 10 1155
[2] Li Y P, Li C X, Zhuo X, Liu Z T 2016 J. Alloys Compd. 10 1016
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[7] Donat J A, Michael D, Gerlach J, Dirk R 2016 MRS Adv. 10 1557
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[9] Duan M Y, Xu M, Zhou H P, Chen Q Y, Hu Z G, Dong C J 2008 Acta Phys. Sin. 57 6520 (in Chinese) [段满益, 徐明, 周海平, 陈青云, 胡志刚, 董成军 2008 57 6520]
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[11] Chen X H 2013 Ph. D. Dissertation (Xiamen: Xiamen University) (in Chinese) [陈小红 2013 博士学位论文(厦门: 厦门大学)]
[12] Cheng S L, Lu J, Shambat G, Yu H Y, Saraswat K, Vuckovic J, Nishi Y 2009 Opt. Express 17 10019
[13] Hou Q Y, Dong H Y, Ying C, Ma W 2012 Acta Phys. Sin. 61 167102 (in Chinese) [侯清玉, 董红英, 迎春, 马文 2012 61 167102]
[14] Shen X J 2013 Ph. D. Dissertation (Suzhou: Suzhou University) (in Chinese) [申小娟 2013 博士学位论文(苏州: 苏州大学)]
[15] Sun X C, Liu J F, Kimerling L C, Michel J 2009 Appl. Phys. Lett. 95 1103
[16] Li M, Li J C 2006 Mater. Lett. 10 1025
[17] Shea H R, Martel R, Avouris P 2000 Phys. Rev. Lett. 03 1152
[18] Hu C Q, Tian Y, Wang J B, Sam Z, Cheng D Y, Chen Y, Zhang K, Zheng W T 2016 Vacumm 10 1016
[19] Shen Y, Mueller G, Watanabe S, Gardner N, Munkholm A, Krames M 2007 Appl. Phys. Lett. 91 141101
[20] Huang S H, Li C, Chen C Z, Zheng Y Y, Lai H K, Chen S Y 2012 Acta Phys. Sin. 61 036202 (in Chinese) [黄诗浩, 李成, 陈城钊, 郑元宇, 赖虹凯, 陈松岩 2012 61 036202]
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[1] Sharafi Z, Mohyeddine S, Mohammed S O, Kershi R M, Ravindra R P 2014 Phys. Res. Int. 10 1155
[2] Li Y P, Li C X, Zhuo X, Liu Z T 2016 J. Alloys Compd. 10 1016
[3] Jordan W B, Wagner S 2002 MRS Proc. 10 1557
[4] Pan F C, Lin X L, Chen H M 2015 Acta Phys. Sin. 64 224218 (in Chinese) [潘凤春, 林雪玲, 陈焕铭 2015 64 224218]
[5] Ray S, Samaresh D, Singha R, Manna S, Achintya D 2011 Nanoscale Res. Lett. 02 224
[6] Alireza S Z, Othaman S K, Ghoshal M, Mustafa K 2015 Chin. Phys. B 25 028103
[7] Donat J A, Michael D, Gerlach J, Dirk R 2016 MRS Adv. 10 1557
[8] Burbaev T M, Zavaritskaya T N, Kurbatov V A, Mel'nik N N, Tsvetkov V A, Zhuravlev K S, Markov V A, Nikiforov A I 2001 Semicond. Sci. Technol. 10 1134
[9] Duan M Y, Xu M, Zhou H P, Chen Q Y, Hu Z G, Dong C J 2008 Acta Phys. Sin. 57 6520 (in Chinese) [段满益, 徐明, 周海平, 陈青云, 胡志刚, 董成军 2008 57 6520]
[10] Palummo M, Onida G, Del Sole R, Stella A, Tognini P, Cheyssac P, Kofman R 2001 Phys. Stat. Sol. 10 1002
[11] Chen X H 2013 Ph. D. Dissertation (Xiamen: Xiamen University) (in Chinese) [陈小红 2013 博士学位论文(厦门: 厦门大学)]
[12] Cheng S L, Lu J, Shambat G, Yu H Y, Saraswat K, Vuckovic J, Nishi Y 2009 Opt. Express 17 10019
[13] Hou Q Y, Dong H Y, Ying C, Ma W 2012 Acta Phys. Sin. 61 167102 (in Chinese) [侯清玉, 董红英, 迎春, 马文 2012 61 167102]
[14] Shen X J 2013 Ph. D. Dissertation (Suzhou: Suzhou University) (in Chinese) [申小娟 2013 博士学位论文(苏州: 苏州大学)]
[15] Sun X C, Liu J F, Kimerling L C, Michel J 2009 Appl. Phys. Lett. 95 1103
[16] Li M, Li J C 2006 Mater. Lett. 10 1025
[17] Shea H R, Martel R, Avouris P 2000 Phys. Rev. Lett. 03 1152
[18] Hu C Q, Tian Y, Wang J B, Sam Z, Cheng D Y, Chen Y, Zhang K, Zheng W T 2016 Vacumm 10 1016
[19] Shen Y, Mueller G, Watanabe S, Gardner N, Munkholm A, Krames M 2007 Appl. Phys. Lett. 91 141101
[20] Huang S H, Li C, Chen C Z, Zheng Y Y, Lai H K, Chen S Y 2012 Acta Phys. Sin. 61 036202 (in Chinese) [黄诗浩, 李成, 陈城钊, 郑元宇, 赖虹凯, 陈松岩 2012 61 036202]
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