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Combining nonequilibrium Green's functions and first-principles quantum transport calculations in density-functional theory, we investigate the effect of biaxial strain on the leakage current of BaTiO3 ferroelectric thin film. The results show that the compressive strain can effectively reduce the leakage current of ferroelectric thin film. Especially when the compressive strain is 4%, the leakage current will be reduced by nearly 10 times that of strain-free case. By calculating the transmission coefficient and the density of states, we find that the transmission probability of ferroelectric tunnel junction with compressive strain is smaller than that with tensile strain. Moreover, we find that the valence band shifts toward the lower energy zone while the conduction band moves toward the high energy zone, which leads to the enlarged energy band gap, thereby reducing the leakage current. Our study suggestes a suitable way to reduce the ferroelectric thin film leakage current and improve the performance of ferroelectric thin film and its relevant ferroelectric memory.
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Keywords:
- ferroelectric thin films /
- double axis strain /
- the leakage current /
- first principle
[1] Yang Y, Zhang S R, Liu J S, Zhang H W, Liu M 2006 Insulating Mater. 39 51 (in Chinese) [杨艳, 张树人, 刘敬松, 张洪伟, 刘蒙 2006 绝缘材料 39 51]
[2] Velev J P, Duan C G, Belashchenko K D, Jaswal S S, Tsymbal E Y 2007 Phys. Rev. Lett. 98 137201
[3] Tsymbal E Y, Kohlstedt H 2006 Science 313 181
[4] Wang H 2004 Acta Phys. Sin. 53 1265 (in Chinese) [王华 2004 物理学报 53 1265]
[5] Wang Y L, Wei T R, Liu B T, Deng Z C 2007 Acta Phys. Sin. 56 2931 (in Chinese) [王英龙, 魏同茹, 刘保亭, 邓泽超 2007 物理学报 56 2931]
[6] Li J J, Yu J, Li J, Wang M, Li Y B, Wu Y Y, Gao J X, Wang Y B 2010 Acta Phys. Sin. 59 1302 (in Chinese) [李建军, 于军, 李佳, 王梦, 李玉斌, 吴云翼, 高俊雄, 王耘波 2010物理学报 59 1302]
[7] Simões A Z, Ramírez M A, Longo E, Varela J A 2008 Mater. Chem. Phys. 107 72
[8] Seidel J, Martin L W, He Q, Zhan Q, Chu Y H, Rother A, Hawkridge M E, Maksymovych P, Yu P, Gajek M, Balke N, Kalinin S V, Gemming S, Wang F, Catalan G, Scott J F, Spaldin N A, Orenstein J, Ramesh R 2009 Nat. Mater. 8 229
[9] Shen X N, Wang H 1996 Funct. Mater. 27 295 (in Chinese) [沈效农, 王弘 1996 功能材料 27 295]
[10] Cheng H G, Liu Z L, Yao K L 2011 Appl. Phys. Lett. 98 172107
[11] Jia J F, Huang K, Pan Q T, Li S G, He D Y 2006 Acta Phys. Sin. 55 2069 (in Chinese) [贾建峰, 黄凯, 潘清涛, 李世国, 贺德衍 2006 物理学报 55 2069]
[12] Scott J F 2007 Science 315 954
[13] Luo X, Lin S P, Wang B, Zheng Y 2010 Appl. Phys. Lett. 97 012905
[14] Luo X, Wang B, Zheng Y 2011 ACS Nano 5 1649
[15] Kresse G, Joubert D 1999 Phys. Rev. B 59 1758
[16] Perdew J P, Ruzsinszky A, Csonka G I, Vydrov O A, Scuseria G E, Constantin L A, Zhou X L, Burke K 2008 Phys. Rev. Lett. 100 136406
[17] Monkhorst H J, Pack J D 1976 Phys. Rev. B 13 5188
[18] Brandbyge M, Mozos J L, Ordejón P, Taylor J, Stokbro K 2002 Phys. Rev. B 65 165401
[19] Pertsev N A, Zembilgotov A G, Tagantsev A K 1998 Phys. Rev. Lett. 80 1988
[20] Datta S 1995 Electronic Transport in Mesoscopic Systems (Cambridge: Cambridge University Press) p7
[21] Luo X, Wang B, Zheng Y 2009 J. Appl. Phys. 106 073711
[22] Es-Souni M, Zhang N, Iakovlev S, Solterbeck C H, Piorra A 2003 Thin Solid Films 440 26
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[1] Yang Y, Zhang S R, Liu J S, Zhang H W, Liu M 2006 Insulating Mater. 39 51 (in Chinese) [杨艳, 张树人, 刘敬松, 张洪伟, 刘蒙 2006 绝缘材料 39 51]
[2] Velev J P, Duan C G, Belashchenko K D, Jaswal S S, Tsymbal E Y 2007 Phys. Rev. Lett. 98 137201
[3] Tsymbal E Y, Kohlstedt H 2006 Science 313 181
[4] Wang H 2004 Acta Phys. Sin. 53 1265 (in Chinese) [王华 2004 物理学报 53 1265]
[5] Wang Y L, Wei T R, Liu B T, Deng Z C 2007 Acta Phys. Sin. 56 2931 (in Chinese) [王英龙, 魏同茹, 刘保亭, 邓泽超 2007 物理学报 56 2931]
[6] Li J J, Yu J, Li J, Wang M, Li Y B, Wu Y Y, Gao J X, Wang Y B 2010 Acta Phys. Sin. 59 1302 (in Chinese) [李建军, 于军, 李佳, 王梦, 李玉斌, 吴云翼, 高俊雄, 王耘波 2010物理学报 59 1302]
[7] Simões A Z, Ramírez M A, Longo E, Varela J A 2008 Mater. Chem. Phys. 107 72
[8] Seidel J, Martin L W, He Q, Zhan Q, Chu Y H, Rother A, Hawkridge M E, Maksymovych P, Yu P, Gajek M, Balke N, Kalinin S V, Gemming S, Wang F, Catalan G, Scott J F, Spaldin N A, Orenstein J, Ramesh R 2009 Nat. Mater. 8 229
[9] Shen X N, Wang H 1996 Funct. Mater. 27 295 (in Chinese) [沈效农, 王弘 1996 功能材料 27 295]
[10] Cheng H G, Liu Z L, Yao K L 2011 Appl. Phys. Lett. 98 172107
[11] Jia J F, Huang K, Pan Q T, Li S G, He D Y 2006 Acta Phys. Sin. 55 2069 (in Chinese) [贾建峰, 黄凯, 潘清涛, 李世国, 贺德衍 2006 物理学报 55 2069]
[12] Scott J F 2007 Science 315 954
[13] Luo X, Lin S P, Wang B, Zheng Y 2010 Appl. Phys. Lett. 97 012905
[14] Luo X, Wang B, Zheng Y 2011 ACS Nano 5 1649
[15] Kresse G, Joubert D 1999 Phys. Rev. B 59 1758
[16] Perdew J P, Ruzsinszky A, Csonka G I, Vydrov O A, Scuseria G E, Constantin L A, Zhou X L, Burke K 2008 Phys. Rev. Lett. 100 136406
[17] Monkhorst H J, Pack J D 1976 Phys. Rev. B 13 5188
[18] Brandbyge M, Mozos J L, Ordejón P, Taylor J, Stokbro K 2002 Phys. Rev. B 65 165401
[19] Pertsev N A, Zembilgotov A G, Tagantsev A K 1998 Phys. Rev. Lett. 80 1988
[20] Datta S 1995 Electronic Transport in Mesoscopic Systems (Cambridge: Cambridge University Press) p7
[21] Luo X, Wang B, Zheng Y 2009 J. Appl. Phys. 106 073711
[22] Es-Souni M, Zhang N, Iakovlev S, Solterbeck C H, Piorra A 2003 Thin Solid Films 440 26
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