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The first-principles method has been used to explore how to minimize the over-erase phenomenon in charge trapping memory. Over-erase phenomenon originates from the nitrogen vacancy due to its weak localization of charge on Si atoms. Therefore, we develop a defect model for studying Si3N4 supercells. The defect model consists of an N vacancy and a substitutional atom on the Si site. The substitutional atoms can be C, N, and O atoms, respectively. The Si site belongs to the N vacancy. Then, the Bader charge distribution after program/erase operation, the interaction energy and density of states are calculated for the model so as to analyze the effects of the substitutional atoms on the over-erase phenomenon. The obtained results of the Bader charge distribution show that the substitution of O for the 128th Si can minimize the over-erase phenomenon in Si3N4, and the replacement of the 128th Si by C can also reduce the over-erase phenomenon. However, the model represents a weak localization of charge due to the replacement by C, which is not preferable for charge storage. And the results also reveal that the substitution of N for the 128th Si completely fails to reduce the over-erase phenomenon. With regard to the 162th and 196th Si sites, the substitutions of the three atoms for the two sites cannot minimize the over-erase phenomenon. Furthermore, the analysis of the interaction energies indicates that the combination of each of the three atoms with the N vacancy can form stable clusters on the 128th site in the model. In particular, the attractive interaction between O and N vacancy is the weakest of the three so that the injected charge can temporarily break the stability of the O cluster to rearrange the charge distribution, realizing the localization of charge around the O cluster. And then, the results of the density of states designate that subtitutional O atom at the 128th Si atom site produces a deep-level trap in the band gap, which has a powerful ability to localize the charge. The above results suggest that substitution of O for Si is an excellent solution for the minimization of over-erase phenomenon in Si3N4. This work can provide a method for the minimization of over-erase phenomenon in charge trapping memory and also can be helpful to the improvement of charge retention and optimization of memory window in the charge trapping memory.
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Keywords:
- first-principles /
- over-erase /
- N vacancy /
- Si3N4
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[2] Kin F K, Chin M L, Ming J C, Ming J T, Tsung S C 2009 Adv. Mater. 21 1695
[3] Lee H Y, Chen P S, Wu T Y, Chen S, Wang C C, Tzeng P J, Tsai M J, Line C 2010 IEEE Electron Dev. Lett. 31 44
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[7] Ptersen M, Roizin Y 2006 Appl. Phys. Lett. 89 053511
[8] Tsai C Y, Chin A 2012 IEEE Trans. Electron Devices 59 252
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[13] Wang X G, Liu J, Bai W P, Kong D L 2004 IEEE Trans. Electron Devices 51 597
[14] Chen F H, Pan T M, Chiu F C 2011 IEEE Trans. Electron Devices 58 3847
[15] Swift C T, Chindalore G L, Harber K, Harp T S, Hoefler A, Hong C M, Ingersoll P A, Li C B, Prinz E J, Yater J A 2002 IEDM Tech. Dig. 927
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[17] Ishiduki M, Fukuzumi Y, Katsumata R, Kito M, Kido M, Tanaka H, Komori Y, Nagata Y, Fujiwara T, Maeda Y, Mikajiri Y, Oota S, Honda M, Iwata Y, Kirisawa R, Aochi H, Nitayama A 2009 IEDM Tech. Dig. 625
[18] Luo J, Lu J L, Zhao H P, Dai Y H, Liu Q, Yang J, Jiang X W, Xu H F 2014 J. Semicond. 35 014004
[19] Tan Y N, Chim W K, Cho B J, Choi W K 2004 IEEE Trans. Electron Devices 51 1143
[20] Wang J Y, Dai Y H, Zhao Y Y, Xu J B, Yang F, Dai G Z, Yang J 2014 Acta Phys. Sin. 63 203101 (in Chinese) [汪家余, 代月花, 赵远洋, 徐建彬, 杨菲, 代广珍, 杨金 2014 63 203101]
[21] Zhao Q, Zhou M X, Zhang W, Liu Q, Li X F, Liu M, Dai Y H 2013 J. Semicond. 34 032001
[22] Tang W, Sanville E, Henkelman G 2009 J. Phys.:Condens. Matter 21 084204
[23] Sanville E, Kenny S D, Smith R, Henkelman G 2007 J. Comput. Chem. 28 899
[24] Hou Z F, Gong X G, Li Q 2009 J. Appl. Phys. 106 014104
[25] Deng S H, Jiang Z L 2014 Acta Phys. Sin. 63 077101 (in Chinese) [邓胜华, 姜志林 2014 63 077101]
[26] Tang F L, Liu R, Xue H T, Lu W J, Feng Y D, Rui Z Y, Huang M 2014 Chin. Phys. B 23 077301
[27] Zheng S W, He M, Li S T, Zhang Y 2014 Chin. Phys. B 23 087101
[28] Kresse G, Furthmller J 1996 Comp. Mater. Sci. 6 15
[29] John P P, Kieron B, Matthias E 1996 Phys. Rev. Lett. 77 3865
[30] Kresse G, Joubert D 1999 Phys. Rev. B 59 1758
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[1] Sandip T, Farhan R, Hussein H, Allan H, Emmanuel F, Kevin C 1996 Appl. Phy. Lett. 68 1377
[2] Kin F K, Chin M L, Ming J C, Ming J T, Tsung S C 2009 Adv. Mater. 21 1695
[3] Lee H Y, Chen P S, Wu T Y, Chen S, Wang C C, Tzeng P J, Tsai M J, Line C 2010 IEEE Electron Dev. Lett. 31 44
[4] Tehrsin S, Chen E, Durlam M, DeHerrera M, Slaughter J M, Shi J, Kerszykowski G 1999 J. Appl. Phys. 85 5822
[5] Bachhofer H, Reisinger H, Bertagnolli E, Philipsborn H V 2001 J. Appl. Phys. 89 2791
[6] Gritsenko V A, Novikov Y N, Shaposhnikov A V, Wong H, Zhidomirov G M 2003 Phys. Solid State 45 2031
[7] Ptersen M, Roizin Y 2006 Appl. Phys. Lett. 89 053511
[8] Tsai C Y, Chin A 2012 IEEE Trans. Electron Devices 59 252
[9] Jin L 2012 Ph.D. Dissertation (Hefei: Anhui University) (in Chinese) [金林 2012 博士学位论文(合肥: 安徽大学)]
[10] Jin L, Zhang M H, Huo Z L, Yu Z A, Jiang D D, Wang Y, Bai Jie, Chen J N, Liu M 2012 Sci. China Tech. Sci. 55 888
[11] Sabina S, Francesco D, Alessio L, Gabriele C, Olivier S 2012 Appl. Phys. Exp. 5 021102
[12] Hsieh C R, Lai C H, Lin B C, Lou J C, Lin J K, Lai Y L, Lai H L 2007 IEEE Electron Devices and Solid-State Circuits 629
[13] Wang X G, Liu J, Bai W P, Kong D L 2004 IEEE Trans. Electron Devices 51 597
[14] Chen F H, Pan T M, Chiu F C 2011 IEEE Trans. Electron Devices 58 3847
[15] Swift C T, Chindalore G L, Harber K, Harp T S, Hoefler A, Hong C M, Ingersoll P A, Li C B, Prinz E J, Yater J A 2002 IEDM Tech. Dig. 927
[16] Rosmeulen M, Sleeckx E, De Meyer K 2002 IEDM Tech. Dig. 189
[17] Ishiduki M, Fukuzumi Y, Katsumata R, Kito M, Kido M, Tanaka H, Komori Y, Nagata Y, Fujiwara T, Maeda Y, Mikajiri Y, Oota S, Honda M, Iwata Y, Kirisawa R, Aochi H, Nitayama A 2009 IEDM Tech. Dig. 625
[18] Luo J, Lu J L, Zhao H P, Dai Y H, Liu Q, Yang J, Jiang X W, Xu H F 2014 J. Semicond. 35 014004
[19] Tan Y N, Chim W K, Cho B J, Choi W K 2004 IEEE Trans. Electron Devices 51 1143
[20] Wang J Y, Dai Y H, Zhao Y Y, Xu J B, Yang F, Dai G Z, Yang J 2014 Acta Phys. Sin. 63 203101 (in Chinese) [汪家余, 代月花, 赵远洋, 徐建彬, 杨菲, 代广珍, 杨金 2014 63 203101]
[21] Zhao Q, Zhou M X, Zhang W, Liu Q, Li X F, Liu M, Dai Y H 2013 J. Semicond. 34 032001
[22] Tang W, Sanville E, Henkelman G 2009 J. Phys.:Condens. Matter 21 084204
[23] Sanville E, Kenny S D, Smith R, Henkelman G 2007 J. Comput. Chem. 28 899
[24] Hou Z F, Gong X G, Li Q 2009 J. Appl. Phys. 106 014104
[25] Deng S H, Jiang Z L 2014 Acta Phys. Sin. 63 077101 (in Chinese) [邓胜华, 姜志林 2014 63 077101]
[26] Tang F L, Liu R, Xue H T, Lu W J, Feng Y D, Rui Z Y, Huang M 2014 Chin. Phys. B 23 077301
[27] Zheng S W, He M, Li S T, Zhang Y 2014 Chin. Phys. B 23 087101
[28] Kresse G, Furthmller J 1996 Comp. Mater. Sci. 6 15
[29] John P P, Kieron B, Matthias E 1996 Phys. Rev. Lett. 77 3865
[30] Kresse G, Joubert D 1999 Phys. Rev. B 59 1758
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