First-principles calculation of the bulk photovoltaic effect in bismuth ferrite

Physical Review Letters

Volumn 109, Issue 23, 2012, Pages

  Young, Steve M ^a   Zheng, Fan ^a   Rappe, Andrew M ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANTAGONISTIC INTERACTIONS; BISMUTH FERRITES; CURRENT THEORIES; ENHANCED EFFICIENCY; EXPERIMENTAL SYSTEM; FERROELECTRIC DOMAIN STRUCTURE; FIRST-PRINCIPLES CALCULATION; MONODOMAINS; PHOTOVOLTAIC RESPONSE; POLYDOMAIN; TENSOR COMPONENTS;

BISMUTH; PHOTOVOLTAIC EFFECTS;

CALCULATIONS;

EID: 84870624107     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.109.236601     Document Type: Article

References (34)

1. W. Ji, K. Yao, and Y.C. Liang, Phys. Rev. B 84, 094115 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.84.094115
2. T. Choi, S. Lee, Y. Choi, V. Kiryukhin, and S.-W. Cheong, Science 324, 63 (2009). SCIEAS 0036-8075 10.1126/science.1168636
3. S. Yang, J. Seidel, S.J. Byrnes, P. Schafer, C.-H. Yang, M. Rossel, P. Yu, Y.-H. Chu, J.F. Scott, J.W. Ager, L. Martin, and R. Ramesh, Nat. Nanotechnol. 5, 143 (2010). NNAABX 1748-3387 10.1038/nnano.2009.451
4. J. Seidel, D. Fu, S.-Y. Yang, E. Alarcón-Lladó, J. Wu, R. Ramesh, and J.W. Ager, Phys. Rev. Lett. 107, 126805 (2011). PRLTAO 0031-9007 10.1103/PhysRevLett.107.126805
5. L. Pintilie, V. Stancu, E. Vasile, and I. Pintilie, J. Appl. Phys. 107, 114111 (2010). JAPIAU 0021-8979 10.1063/1.3445877
6. D.W. Cao, H. Zhang, L.A. Fang, W. Dong, F.G. Zheng, and M.R. Shen, Appl. Phys. Lett. 97, 102104 (2010). APPLAB 0003-6951 10.1063/1.3488829
7. W. Ji, K. Yao, and Y.C. Liang, Adv. Mater. 22, 1763 (2010). ADVMEW 0935-9648 10.1002/adma.v22:15
8. A.G. Chynoweth, Phys. Rev. 102, 705 (1956). PHRVAO 0031-899X 10.1103/PhysRev.102.705
9. F.S. Chen, J. Appl. Phys. 40, 3389 (1969). JAPIAU 0021-8979 10.1063/1.1658195
10. A.M. Glass, D. von der Linde, and T.J. Negran, Appl. Phys. Lett. 25, 233 (1974). APPLAB 0003-6951 10.1063/1.1655453
11. V.M. Fridkin, Crystallogr. Rep. (Transl. Kristallografiya) 46, 654 (2001). CYSTE3 1063-7745 10.1134/1.1387133
12. W.T.H. Koch, R. Munser, W. Ruppel, and P. Wurfel, Ferroelectrics 13, 305 (1976). FEROA8 0015-0193 10.1080/00150197608236596
13. R. von Baltz and W. Kraut, Phys. Rev. B 23, 5590 (1981). PRBMDO 0163-1829 10.1103/PhysRevB.23.5590
14. B.I. Sturman and V.M. Fridkin, in The Photovoltaic and Photorefractive Effects in Noncentrosymmetric Materials, Ferroelectricity and Related Phenomena Vol. 8, edited by, G.W. Taylor, (Gordon and Breach, New York, 1992).
15. M. Qin, K. Yao, and Y.C. Liang, Appl. Phys. Lett. 95, 022912 (2009). APPLAB 0003-6951 10.1063/1.3182824
16. S.R. Basu, L.W. Martin, Y.H. Chu, M. Gajek, R. Ramesh, R.C. Rai, X. Xu, and J.L. Musfeldt, Appl. Phys. Lett. 92, 091905 (2008). APPLAB 0003-6951 10.1063/1.2887908 (Pubitemid 351357368)
17. M. Ichiki, H. Furue, T. Kobayashi, R. Maeda, Y. Morikawa, T. Nakada, and K. Nonaka, Appl. Phys. Lett. 87, 222903 (2005). APPLAB 0003-6951 10.1063/1.2128479 (Pubitemid 41669251)
18. Z.J. Yue, K. Zhao, S.Q. Zhao, Z.Q. Lu, X.M. Li, H. Ni, and A.J. Wang, J. Phys. D 43, 015104 (2010). JPAPBE 0022-3727 10.1088/0022-3727/43/1/015104
19. G.L. Yuan and J.L. Wang, Appl. Phys. Lett. 95, 252904 (2009). APPLAB 0003-6951 10.1063/1.3268783
20. S.Y. Yang, L.W. Martin, S.J. Byrnes, T.E. Conry, S.R. Basu, D. Paran, L. Reichertz, J. Ihlefeld, C. Adamo, A. Melville, Y.H. Chu, C.H. Yang, J.L. Musfeldt, D.G. Schlom, J.W. Ager III, and R. Ramesh, Appl. Phys. Lett. 95, 062909 (2009). APPLAB 0003-6951 10.1063/1.3204695
21. G. Catalan and J.F. Scott, Adv. Mater. 21, 2463 (2009). ADVMEW 0935-9648 10.1002/adma.v21:24
22. J.F. Ihlefeld, N.J. Podraza, Z.K. Liu, R.C. Rai, X. Xu, T. Heeg, Y.B. Chen, J. Li, R.W. Collins, J.L. Musfeldt, X.Q. Pan, J. Schubert, R. Ramesh, and D.G. Schlom, Appl. Phys. Lett. 92, 142908 (2008). APPLAB 0003-6951 10.1063/1.2901160 (Pubitemid 351535631)
23. M. Alexe and D. Hesse, Nat. Commun. 2, 256 (2011). NCAOBW 2041-1723 10.1038/ncomms1261
24. S.M. Young and A.M. Rappe, Phys. Rev. Lett. 109, 116601 (2012). PRLTAO 0031-9007 10.1103/PhysRevLett.109.116601
25. J.E. Sipe and A.I. Shkrebtii, Phys. Rev. B 61, 5337 (2000). PRBMDO 0163-1829 10.1103/PhysRevB.61.5337
26. C. Ederer and N.A. Spaldin, Phys. Rev. B 71, 060401 (2005). PRBMDO 1098-0121 10.1103/PhysRevB.71.060401 (Pubitemid 40467452)
27. P. Giannozzi, J. Phys. Condens. Matter 21, 395502 (2009). JCOMEL 0953-8984 10.1088/0953-8984/21/39/395502
28. A.M. Rappe, K.M. Rabe, E. Kaxiras, and J.D. Joannopoulos, Phys. Rev. B 41, 1227 (1990). PRBMDO 0163-1829 10.1103/PhysRevB.41.1227
29. N.J. Ramer and A.M. Rappe, Phys. Rev. B 59, 12471 (1999). PRBMDO 0163-1829 10.1103/PhysRevB.59.12471
30. T. Sasaki, A.M. Rappe, and S.G. Louie, Phys. Rev. B 52, 12760 (1995). PRBMDO 0163-1829 10.1103/PhysRevB.52.12760
31. S. Lebègue, B. Arnaud, and M. Alouani, Phys. Rev. B 72, 085103 (2005). PRBMDO 1098-0121 10.1103/PhysRevB.72.085103 (Pubitemid 41506440)
32. C.T. Chen and B.D. Cahan, J. Opt. Soc. Am. 71, 932 (1981). JOSAAH 0030-3941 10.1364/JOSA.71.000932
33. H. Yang, W. Mi, H. Bai, and Y. Cheng RSC Adv. 2, 10708 (2012). RSCACL 2046-2069 10.1039/c2ra21349d
34. See Supplemental Material at http://link.aps.org/supplemental/10.1103/ PhysRevLett.109.236601 for the complete calculated photovoltaic response tensors.