Mechanism of enhanced optical second-harmonic generation in the conducting pyrochlore-type Pb2Ir2O7-x oxide compound

Physical Review Letters

Volumn 110, Issue 18, 2013, Pages

  Hirata, Yasuyuki ^a   Nakajima, Makoto ^b   Nomura, Yusuke ^a   Tajima, Hiroyuki ^a   Matsushita, Yoshitaka ^c   Asoh, Keiko ^a   Kiuchi, Yoko ^a   Eguiluz, Adolfo G ^d   Arita, Ryotaro ^a   Suemoto, Tohru ^a   Ohgushi, Kenya ^a  

^a UNIVERSITY OF TOKYO   (Japan)

^b CHIBA UNIVERSITY   (Japan)

^c NATIONAL INSTITUTE FOR MATERIALS SCIENCE   (Japan)

^d UNIVERSITY OF TENNESSEE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE CALCULATIONS; INVERSION SYMMETRY; LOCAL ENVIRONMENTS; OPTICAL SECOND HARMONIC GENERATION; SPATIAL INVERSION SYMMETRY; STRUCTURAL DISTORTIONS; THEORETICAL STUDY; TOPOLOGICAL INSULATORS;

CALCULATIONS; ELECTRONIC STRUCTURE; LEAD; OPTICAL PROPERTIES; QUANTUM THEORY;

IRIDIUM;

IRIDIUM; IRIDIUM OXIDE; LEAD; NIOBIUM; PYROCHLORE;

ARTICLE; CHEMISTRY; METHODOLOGY; OPTICS; QUANTUM THEORY; X RAY DIFFRACTION;

IRIDIUM; LEAD; NIOBIUM; OPTICS AND PHOTONICS; QUANTUM THEORY; X-RAY DIFFRACTION;

EID: 84877278355     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.110.187402     Document Type: Article

References (30)

1. V. M. Edelstein, Phys. Rev. Lett. 95, 156602 (2005). PRLTAO 0031-9007 10.1103/PhysRevLett.95.156602
2. T. Kolodiazhnyi, M. Tachibana, H. Kawaji, J. Hwang, and E. Takayama-Muromachi, Phys. Rev. Lett. 104, 147602 (2010). PRLTAO 0031-9007 10.1103/PhysRevLett.104.147602
3. V. M. Edelstein, Phys. Rev. Lett. 75, 2004 (1995). PRLTAO 0031-9007 10.1103/PhysRevLett.75.2004
4. V. M. Edelstein, Phys. Rev. Lett. 80, 5766 (1998). PRLTAO 0031-9007 10.1103/PhysRevLett.80.5766
5. K. Ohgushi, J. I. Yamaura, M. Ichihara, Y. Kiuchi, T. Tayama, T. Sakakibara, H. Gotou, T. Yagi, and Y. Ueda, Phys. Rev. B 83, 125103 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.83.125103
6. J. C. Petersen, M. D. Caswell, J. S. Dodge, I. A. Sergienko, J. He, R. Jin, and D. Mandras, Nat. Phys. 2, 605 (2006). NPAHAX 1745-2473 10.1038/nphys392
7. B. J. Kennedy, J. Solid State Chem. 123, 14 (1996). JSSCBI 0022-4596 10.1006/jssc.1996.0146
8. O. F. Schrimer, A. Forster, H. Hesse, M. Wohlecke, and S. Kapplan, J. Phys. C 17, 1321 (1984). JPSOAW 0022-3719 10.1088/0022-3719/17/7/024
9. K. Matsuhira, M. Wakeshima, R. Nakanishi, T. Yamada, A. Nakamura, W. Kawano, S. Takagi, and Y. Hinatsu, J. Phys. Soc. Jpn. 76, 043706 (2007). JUPSAU 0031-9015 10.1143/JPSJ.76.043706
10. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964). PHRVAO 0031-899X 10.1103/PhysRev.136.B864
11. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965). PHRVAO 0031-899X 10.1103/PhysRev.140.A1133
12. http://elk.sourceforge.net/.
13. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
14. F. Izumi and T. Ikeda, Mater. Sci. Forum 321-324, 198 (2000). MSFOEP 1662-9752 10.4028/www.scientific.net/MSF.321-324.198
15. R. A. Young, E. Prince, and R. A. Sparks, J. Appl. Crystallogr. 15, 357 (1982). JACGAR 0021-8898 10.1107/S0021889882012138
16. A. Walsh and G. W. Watson, Chem. Mater. 19, 5158 (2007). CMATEX 0897-4756 10.1021/cm0714279
17. B. B. Hinojosa, J. C. Nino, and A. Asthagiri, Phys. Rev. B 77, 104123 (2008). PRBMDO 1098-0121 10.1103/PhysRevB.77.104123
18. T. Akazawa, Y. Inagumaa, T. Katsumata, K. Hiraki, and T. Takahashi, J. Cryst. Growth 271, 445 (2004). JCRGAE 0022-0248 10.1016/j.jcrysgro.2004.08.002
19. M. Tachibana, Y. Kohama, T. Shimoyama, A. Harada, T. Taniyama, M. Itoh, H. Kawaji, and T. Atake, Phys. Rev. B 73, 193107 (2006). PRBMDO 1098-0121 10.1103/PhysRevB.73.193107
20. B. J. Kim, H. Jin, S. J. Moon, J.-Y. Kim, B.-G. Park, C. S. Leem, J. Yu, T. W. Noh, C. Kim, S.-J. Oh, J.-H. Park, V. Durairaj, G. Cao, and E. Rotenberg, Phys. Rev. Lett. 101, 076402 (2008). PRLTAO 0031-9007 10.1103/PhysRevLett.101. 076402
21. B. J. Kim, H. Ohsumi, T. Komesu, S. Sakai, T. Morita, H. Takagi, and T. Arima, Science 323, 1329 (2009). SCIEAS 0036-8075 10.1126/science.1167106
22. K. Ohgushi, J. Yamaura, H. Ohsumi, K. Sugimoto, S. Takeshita, A. Tokuda, H. Takagi, M. Takata, and T. Arima, arXiv:1108.4523.
23. S. J. Moon, H. Jin, K. W. Kim, W. S. Choi, Y. S. Lee, J. Yu, G. Cao, A. Sumi, H. Funakubo, C. Bernhard, and T. W. Noh, Phys. Rev. Lett. 101, 226402 (2008). PRLTAO 0031-9007 10.1103/PhysRevLett.101.226402
24. R. Arita, J. Kuneš, A. V. Kozhevnikov, A. G. Eguiluz, and M. Imada, Phys. Rev. Lett. 108, 086403 (2012). PRLTAO 0031-9007 10.1103/PhysRevLett.108.086403
25. R. W. Boyd, Nonlinear Optics (Academic Press, London, 2008), 3rd ed.
26. F. Ishii and T. Oguchi, J. Phys. Soc. Jpn. 69, 526 (2000). JUPSAU 0031-9015 10.1143/JPSJ.69.526
27. R. S. Singh, V. R. R. Medicherla, K. Maiti, and E. V. Sampathkumaran, Phys. Rev. B 77, 201102 (2008). PRBMDO 1098-0121 10.1103/PhysRevB.77.201102
28. D. Pesin and L. Balents, Nat. Phys. 6, 376 (2010). NPAHAX 1745-2473 10.1038/nphys1606
29. X. Wan, A. M. Turner, A. Vishwanath, and S. Y. Savrasov, Phys. Rev. B 83, 205101 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.83.205101
30. See Supplemental Material at http://link.aps.org/supplemental/10.1103/ PhysRevLett.110.187402 for detailed description of first-principles calculations.