Chemical tuning of the optical band gap in spinel ferrites: CoFe 2O4 vs NiFe2O4

Applied Physics Letters

Volumn 103, Issue 8, 2013, Pages

  Holinsworth, B S ^a   Mazumdar, D ^a,b   Sims, H ^b   Sun, Q C ^a   Yurtisigi, M K ^b   Sarker, S K ^b   Gupta, A ^b   Butler, W H ^b   Musfeldt, J L ^a  

^a UNIVERSITY OF TENNESSEE   (United States)

^b University of Alabama   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL TUNING; COVALENCIES; ELECTRONIC STRUCTURE CALCULATIONS; INDIRECT BAND GAP; SPIN-DOWN; SPINEL FERRITES;

ELECTRONIC STRUCTURE;

FERRITES;

EID: 84883378888     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4818315     Document Type: Article

References (43)

1. J. C. Slonczewski, Phys. Rev. B 82, 054403 (2010). 10.1103/PhysRevB.82. 054403
2. G. E. W. Bauer, E. Saitoh, and B. J. van Wees, Nature Mater. 11, 391 (2012). 10.1038/nmat3301
3. D. C. Worledge and T. H. Geballe, J. Appl. Phys. 88, 5277 (2000). 10.1063/1.1315619
4. J. S. Moodera, G.-X. Miao, and T. S. Santos, Phys. Today 63 (4), 46 (2010). 10.1063/1.3397043
5. T. R. Paudel, A. Zakutayev, S. Lany, M. d'Avezac, and A. Zunger, Adv. Funct. Mater. 21, 4493-4501 (2011). 10.1002/adfm.201101469
6. M. N. Iliev, D. Mazumdar, J. X. Ma, A. Gupta, F. Rigato, and J. Fontcuberta, Phys. Rev. B 83, 014108 (2011). 10.1103/PhysRevB.83.014108
7. D. Fritsch and C. Ederer, Phys. Rev. B 82, 104117 (2010). 10.1103/PhysRevB.82.104117
8. D. Fritsch and C. Ederer, Appl. Phys. Lett. 99, 081916 (2011). 10.1063/1.3631676
9. Z. Szotek, W. M. Temmerman, D. Ködderitzsch, A. Svane, L. Petit, and H. Winter, Phys. Rev. B 74, 174431 (2006). 10.1103/PhysRevB.74.174431
10. U. Luders, A. Barthelemy, M. Bibes, K. Bouzehouane, S. Fusil, E. Jacquet, J.-P. Contour, J.-F. Bobo, J. Fontcuberta, and A. Fert, Adv. Mater. 18, 1733 (2006). 10.1002/adma.200500972
11. A. V. Ramos, M.-J. Guittet, J.-B. Moussy, R. Mattana, C. Deranlot, F. Petroff, and C. Gatel, Appl. Phys. Lett. 91, 122107 (2007). 10.1063/1.2787880
12. A. V. Ramos, T. S. Santos, G. X. Miao, M.-J. Guittet, J.-B. Moussy, and J. S. Moodera, Phys. Rev. B 78, 180402R (2008). 10.1103/PhysRevB.78.180402
13. F. Rigato, S. Piano, M. Foerster, F. Giubileo, A. M. Cucolo, and J. Fontcuberta, Phys. Rev. B 81, 174415 (2010). 10.1103/PhysRevB.81.174415
14. B. B. Nelson-Cheeseman, F. J. Wong, R. V. Chopdekar, E. Arenholz, and Y. Suzuki, Phys. Rev. B 81, 214421 (2010). 10.1103/PhysRevB.81.214421
15. N. M. Caffrey, D. Fritsch, T. Archer, S. Sanvito, and C. Ederer, Phys. Rev. B 87, 024419 (2013). 10.1103/PhysRevB.87.024419
16. Q.-C. Sun, H. Sims, D. Mazumdar, J. X. Ma, B. S. Holinsworth, K. R. O'Neal, G. Kim, W. H. Butler, A. Gupta, and J. L. Musfeldt, Phys. Rev. B 86, 205106 (2012). 10.1103/PhysRevB.86.205106
17. In the context of this work the band gap hierarchy refers to the presence of multiple charge gaps in the optical absorption spectrum.
18. D. Fritsch and C. Ederer, Phys. Rev. B 86, 014406 (2012). 10.1103/PhysRevB.86.014406
19. R. D. Waldron, Phys. Rev. 99, 1727 (1955). 10.1103/PhysRev.99.1727
20. R. C. Rai, S. Wilser, M. Guminiak, B. Cai, and M. L. Nakarmi, Appl. Phys. A: Mater. Sci. Process. 106, 207 (2012). 10.1007/s00339-011-6549-z
21. A. V. Ravindra, P. Padhan, and W. Prellier, Appl. Phys. Lett. 101, 161902 (2012). 10.1063/1.4759001
22. J. X. Ma, D. Mazumdar, G. Kim, H. Sato, N. Z. Bao, and A. Gupta, J. Appl. Phys. 108, 063917 (2010). 10.1063/1.3488638
23. R. E. Glover and M. Tinkham, Phys. Rev. 108, 243 (1957). 10.1103/PhysRev.108.243
24. F. Wooten, Optical Properties of Solids (Academic Press, New York, 1972).
25. J. I. Pankove, Optical Processes in Semiconductors (Dover, New York, 1971).
26. G. Kresse and J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996). 10.1016/0927-0256(96)00008-0
27. G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999). 10.1103/PhysRevB.59.1758
28. V. N. Antonov, B. N. Harmon, and A. N. Yaresko, Phys. Rev. B 67, 024417 (2003). 10.1103/PhysRevB.67.024417
29. P. E. Blöchl, Phys. Rev. B 50, 17953 (1994). 10.1103/PhysRevB.50. 17953
30. K. H. Kim, K. C. Park, and D. Y. Ma, J. Appl. Phys. 81, 7764 (1997). 10.1063/1.365556
31. X. S. Xu, J. F. Ihlefeld, J. H. Lee, O. K. Ezekoye, E. Vlahos, R. Ramesh, V. Gopalan, X. Q. Pan, D. G. Schlom, and J. L. Musfeldt, Appl. Phys. Lett. 96, 192901 (2010). 10.1063/1.3427499
32. Q.-C. Sun, C. S. Birkel, J. Cao, W. Tremel, and J. L. Musfeldt, ACS Nano 6, 4876 (2012). 10.1021/nn301276q
33. 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). 10.1063/1.2887908
34. M. O. Ramirez, A. Kumar, S. A. Denev, Y. H. Chu, J. Seidel, L. W. Martin, S.-Y. Yang, R. C. Rai, X. S. Xue, J. F. Ihlefeld, N. J. Podraza, E. Saiz, S. Lee, J. Klug, S. W. Cheong, M. J. Bedzyk, O. Auciello, D. G. Schlom, J. Orenstein, R. Ramesh, J. L. Musfeldt, A. P. Litvinchuk, and V. Gopalan, Appl. Phys. Lett. 94, 161905 (2009). 10.1063/1.3118576
35. See supplementary material at http://dx.doi.org/10.1063/1.4818315 E-APPLAB-103-016333 for additional electronic structure data.
36. The LSDA+U and GGA+U methods underestimate the higher gaps considerably compared to our experimental data. Underestimation of gap values is a well-known shortcoming of the method which can be improved, in principle, by using computationally expensive techniques (such as hybrid functionals and/or the many-body GW method). An alternate possibility is the presence of optically forbidden transitions between valence and conduction bands.
37. D. Carta, M. F. Casula, A. Falqui, D. Loche, G. Mountjoy, C. Sangregorio, and A. Corrias, J. Phys. Chem. C 113, 8606 (2009). 10.1021/jp901077c
38. T. J. Inoue, J. Electrochem. Soc. Jpn. 23, 24 (1955).
39. R. J. Powell and W. E. Spicer, Phys. Rev. B 2, 2182 (1970). 10.1103/PhysRevB.2.2182
40. R. Zimmermann, P. Steiner, R. Claessen, F. Reinert, S. Hufner, P. Blaha, and P. Dufek, J. Phys.: Condens. Matter 11, 1657 (1999). 10.1088/0953-8984/11/7/ 002
41. R. D. Shannon, Acta Crystallogr. Sect. A 32, 751 (1976). 10.1107/S0567739476001551
42. M. S. Hybertsen and S. G. Louie, Phys. Rev. Lett. 55, 1418 (1985). 10.1103/PhysRevLett.55.1418
43. S. H. Wemple, Phys. Rev. B 2, 2679 (1970). 10.1103/PhysRevB.2.2679