Electronic structure and optical band gap determination of NiFe2 O4

Journal of Physics Condensed Matter

Volumn 26, Issue 11, 2014, Pages

  Meinert, Markus ^a   Reiss, Günter ^a  

^a BIELEFELD UNIVERSITY   (Germany)

Author keywords

band gap; band structure; inverse spinel; NiFe2O4; optical absorption

Indexed keywords

INVERSE SPINEL; NIFE2O4; OPTICAL GAP; SPIN CHANNELS; TAUC PLOTS; THEORETICAL STUDY; TRAN-BLAHA;

BAND STRUCTURE; ENERGY GAP; LIGHT ABSORPTION; OPTICAL BAND GAPS;

ELECTRONIC STRUCTURE;

FERRIC ION; NICKEL; NICKEL FERRITE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRIC CONDUCTIVITY; ELECTRONICS; LIGHT RELATED PHENOMENA; SEMICONDUCTOR;

ELECTRIC CONDUCTIVITY; ELECTRONICS; FERRIC COMPOUNDS; MODELS, MOLECULAR; NICKEL; OPTICAL PROCESSES; SEMICONDUCTORS;

EID: 84897729777     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/26/11/115503     Document Type: Article

References (43)

1. Hohenberg P and Kohn W 1964 Phys. Rev. B 136 865
2. Kohn W and Sham L J 1965 Phys. Rev. A 140 1133
3. Hastings J M and Corliss L M 1953 Rev. Mod. Phys. 25 114
4. Youssef S I, Natera M G, Begum R J, Srinivasan B S and Satya Murthy N S 1969 J. Phys. Chem. Solids 30 1941
5. van der Laan G, Henderson C M B, Pattrick R A D, Dhesi S S, Schofield P F, Dudzik E and Vaughan D J 1999 Phys. Rev. B 59 4314
6. Joshi G P, Saxena N S, Mangal R, Mishera A and Sharma T P 2003 Bull. Mater. Sci. 26 387
7. Balaji S, Selvan R K, Berchmans L J, Angappan S, Subramanian K and Augustin C O 2005 Mater. Sci. Eng. B 119 119
8. Dolia S N, Sharma R, Sharma M P and Saxena N S 2006 Indian J. Pure Appl. Phys. 44 774
9. Srivastava M, Ojha A K, Chaubey S and Materny A 2009 J. Alloys Compounds 481 515
10. Chavan S M, Babrekar M K, More S S and Jadhav K M 2010 J. Alloys Compounds 507 21
11. Bharati K K, Vemuri R S and Ramana C V 2011 Chem. Phys. Lett. 504 202
12. Rai R C, Wilser S, Guminiak M, Cai B and Nakarmi M L 2012 Appl. Phys. A 106 207
13. Sun Q-C, Sims H, Mazumdar D, Ma J X, Holinsworth B S, O'Neal K R, Kim G, Butler W H, Gupta A and Musfeldt J L 2012 Phys. Rev. B 86 205106
14. Szotek Z, Temmerman W M, Ködderitzsch D, Svane A, Petit L and Winter H 2006 Phys. Rev. B 74 174431
15. Antonov V N, Harmon B N and Yaresko A N 2003 Phys. Rev. B 67 024417
16. Fritsch D and Ederer C 2010 Phys. Rev. B 82 104117
17. Aryasetiawan F and Gunnarsson O 1998 Rep. Prog. Phys. 61 237
18. Shishkin M, Marsman M and Kresse G 2007 Phys. Rev. Lett. 99 246403
19. Becke A D and Johnson E R 2006 J. Chem. Phys. 124 221101
20. Tran F and Blaha P 2009 Phys. Rev. Lett. 102 226401
21. Becke A D and Roussel M R 1989 Phys. Rev. A 39 3761
22. Armiento R, Kümmel S and Körzdörfer T 2008 Phys. Rev. B 77 165106
23. Marques M A L, Vidal J, Oliveira M J T, Reining L and Botti S 2011 Phys. Rev. B 83 035119
24. Krukau A V, Scuseria G E, Perdew J P and Savin A 2008 J. Chem. Phys. 129 124103
25. Koller D, Tran F and Blaha P 2011 Phys. Rev. B 83 195134
26. Kim Y S, Marsman M, Kresse G, Tran F and Blaha P 2010 Phys. Rev. B 82 205212
27. Meinert M 2013 Phys. Rev. B 87 045103
28. Hetaba W, Blaha P, Tran F and Schattschneider P 2012 Phys. Rev. B 85 205108
29. Gong S and Liu B-G 2012 Chin. Phys. B 21 057104
30. The Elk FP-LAPW code, Version 2.2.1, http://elk.sourceforge.net-ref- separator.
31. Marques M A L, Oliveira M J T and Burnus T 2012 Comput. Phys. Commun. 183 2272
32. Perdew J P and Wang Y 1992 Phys. Rev. B 45 13244
33. Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
34. Perron H, Mellier T, Domain C, Roques J, Simoni E, Drot R and Catalette H 2007 J. Phys.: Condens. Matter 19 346219
35. Sharma S, Dewhurst J K, Sanna A and Gross E K U 2011 Phys. Rev. Lett. 107 186401
36. Ma J X, Mazumdar D, Sato G, Kim H, Bao N Z and Gupta A 2010 J. Appl. Phys. 108 063917
37. Holinsworth B S, Mazumdar D, Sims H, Sun Q-C, Yurtisigi M K, Sarker S K, Gupta A, Butler W H and Musfeldt J L 2013 Appl. Phys. Lett. 103 082406
38. Liechtenstein A I, Anisimov V I and Zaanen J 1995 Phys. Rev. B 52 5467
39. Yang Z-H and Ullrich C A 2013 Phys. Rev. B 87 195204
40. Dvorak M, Wei S-H and Wu Z 2013 Phys. Rev. Lett. 110 016402
41. Mott N F and Davis E A 1979 Electronic Processes in Non-Crystalline Materials 2nd edn (Oxford: Clarendon)
42. Stenzel O 2005 The Physics of Thin Film Optical Spectra - An Introduction (Berlin: Springer)
43. Arenholz E, van der Laan G, Chopdekar R V and Suzuki Y 2006 Phys. Rev. B 74 094407