-
Presently, impurity-compensated silicon (Si) has no clear potential applications due to high resistance and few carriers. Thus, it receives little attention from researchers. In our study, we find that impurity compensation makes the formation of localized state energy levels in Si bandgap, which can improve the light absorption of Si in the near infrared region. In order to fully and deeply understand the photoelectric properties of impurity-compensated Si, the localized state energy levels composed of P+/B- ions are constructed in Si bandgap by the co-doping of both phosphorus (P) and boron (B) in this paper, leading to the formation of impurity-compensated Si. The first-principles based on a Density Functional Theory framework is used to study the photoelectric properties of the impurity-compensated Si (n/p-Sic) such as the density of states (DOS), dielectric function and refractive index. The DOS study reveals the following results: After the n- and p-Si with the same concentration of P and B (12.5%) are fully compensated by impurities, the Fermi energy levels of their compensated counterparts are at the valley bottom formed by the two adjacent DOS peaks, and the DOS is not zero at the valley bottom. In the study of dielectric function and refractive index, it is found that n-Sic has the largest dielectric function and refractive index in the low energy region for the doping ratio of CB/CP0 = 0.25. In addition, comparing intrinsic Si with its doped counterparts in the real part (Re) of their dielectric constant, the following regularity is found: In the high energy region of E ＞ 4 eV, the Re of the intrinsic Si, n/p-Si and p-Sic are negative. In the low energy region of 0.64 eV＜ E ＜ 1.50 eV, the Re of n-Sic is negative for the doping ratio of CB/CP0 = 0.25. The above comparison indicates that the n-Sic with CB/CP0 = 0.25 can achieve good metallicity in low energy region, which reveals that the electrons in valence band are easy to be excited by long-wavelength light with low energy. Theoretical studies show that the good photoelectric properties of n-Sic with CB/CP0 = 0.25 may be related to Si dangling bonds and localized state energy levels in Si bandgap. The Si dangling bonds are caused by the impurity compensation of B dopant for n-Si, leading to the change from part of Si-Si bonds to Si-B bonds. This study provides theoretical guidance for the application of impurity-compensated Si in the field of photodetectors such as CMOS image sensors and infrared photodetectors.
-
Keywords:
- First-principles /
- DOS /
- Impurity compensation /
- Optical properties
-
[1] Xiao H (translated by Yang Y T, Duan B X) 2013 Introduction to Semiconductor Manufacturing Technology (Beijing: Publishing House of Electronic Industry) p428 (in Chinese) [萧宏著 (杨银堂, 段宝兴译) 2013 半导体制造技术导论 (北京: 电子工业出版社) 第428页]
[2] Soref R 2006 IEEE J. Sel. Top. Quantum Electron. 12 1678
[3] Li C, Zhao J H, Liu X H, Ren Z Y, Yang Y, Chen Z G, Chen Q D, Sun H B 2023 IEEE Trans Electron Devices. 70 2364
[4] Ge X, Chen D, Cui X Y, Ma H B, Li Y, Chen Y L 2022 Proceedings of the 7th International Conference on Integrated Circuits and Microsystems, Xi'an, China October 28-31, 2022 p24
[5] Hodges D A, Jackson H G, Saleh R A (translated by Jiang A P, Wang X A, Chen Z L) 2005 Analysis and Design of Digital Integrated Circuits: In Deep Submicron Technology (Beijing: Publishing House of Electronic Industry) p1 (in Chinese) [霍奇斯, 杰克逊, 萨利赫著 (蒋安平, 王新安, 陈自力译) 2005 数字集成电路分析与设计: 深亚微米工艺 (北京: 电子工业出版社) 第1页]
[6] Liu E K, Zhu B S, Luo J S 2008 The Physics of Semiconductors (7th Edition) (Beijing: Publishing House of Electronic Industry) p41 (in Chinese) [刘恩科, 朱秉升, 罗晋生 2008 半导体物理学 (第七版) (北京: 电子工业出版社) 第41页]
[7] Wang X Y, Wang T, Ren Q, Xu J T, Cui Y A 2023 Micro Nanostructures 184 207695
[8] Green M A 2008 Sol. Energy Mater. Sol. Cells 92 1305
[9] Pina J M, Vafaie M, Parmar D H, Atan O, Xia P, Zhang Y N, Najarian A M, Arquer F P G D, Hoogland S, Sargent E H 2022 Nano Lett. 22 6802
[10] Mailoa J P, Akey A J, Simmons C B, Hutchinson D, Mathews J, Sullivan J T, Recht D, Winkler M T, Williams J S, Warrender J M, Persans P D, Aziz M J, Buonassisi T 2014 Nat. Commun. 5 301
[11] Zhao J H, Li X B, Chen Q D, Chen Z G, Sun H B 2020 Mater. Today Nano 11 100078
[12] Han D, Sun F Y, Lu J Y, Song F M, Xu Y 2020 Acta Phys. Sin. 69 148501 (in Chinese) [韩冬, 孙飞阳, 鲁继远, 宋福明, 徐跃 2020 物理学报69 148501]
[13] Ma J J, Fossum E R 2015 IEEE J. Electrion Devices Soc. 3 73
[14] Larson L A, Williams J M, Current M I 2011 Rev. accel. sci. technol. 04 11
[15] Yokogawa S, Oshiyama I, Ikeda H, Ebiko Y, Hirano T, Saito S, Oinoue T, Hagimoto Y, Iwamoto H 2017 Sci Rep 7 3832
[16] Khabir M, Alaibakhsh H, Karami M A 2021 Appl. Optics 60 9640
[17] Li F, Wang R S, Han L Q, Xu J T 2020 J. Semicond. 41 102301
[18] Yang Y Y, Gong P, Ma W D, Hao R, Fang X Y 2021 Chin. Phys. B 30 067803
[19] Yang L Z, Liu W K, Yan H, Yu X X, Gong P, Li Y L, Fang X Y 2024 Eur. Phys. J. Plus 139 66
[20] Wang X Y, Liu Y P, Ding B N, Li M X, Chen T N, Zhu X T 2017 Superlattices Microstruct. 109 217
[21] Jia Y H, Gong P, Li S L, Ma W D, Fang X Y, Yang Y Y, Cao M S 2020 Phy. Lett. A 384 126106
[22] Ma Y, Yan H, Yu X X, Gong P, Li Y L, Ma W D, Fang X Y 2024 J. Appl. Phys. 135 054101
[23] Zhang Y M, Cao Y, Yang Y Z, Li J L, Liao Y F 2021 Low.Temp.Phys.Lett. 43 0135 (in Chinese) [张晏蜜, 曹妍, 杨胭脂, 李佳龙 2021 低温物理学报 43 135]
[24] Moore C, Adhikari C M, Das T, Resch L, Ullrich C A, Jentschura U D 2022 Phys. Rev. B 106 045202
[25] Kong S S, Liu W K, Yu X X, Li Y L, Yang L Z, Ma Y, Fang X Y 2023 Front. Phys. 18 43302
[26] Green M A, Keevers M J 1995 Prog. Photovolt: Res. Appl. 3 189
[27] Yamaguchi T 1975 Appl. Optics 14 1111
[28] Yu Z Q 2012 Acta Phys. Sin. 61 217102 (in Chinese) [余志强 2012物理学报 61 217102]
[29] Diez M, Ametowobla M, Graf T 2017 J. Laser Micro Nanoeng. 12 230
Metrics
- Abstract views: 196
- PDF Downloads: 7
- Cited By: 0
下载:
