Electronic structure and magnetic and optical properties of double perovskite Bi2FeCrO6 from first-principles investigation

Chinese Physics B

Volumn 22, Issue 4, 2013, Pages

  Song, Zhe Wen ^a,b   Liu, Bang Gui ^a  

^a INSTITUTE OF PHYSICS   (China)

^b PEKING UNIVERSITY   (China)

Author keywords

first principles calculation; magnetic materials

Indexed keywords

ANTIFERROMAGNETIC SUPEREXCHANGE; CRYSTAL-FIELD SPLITTING; DENSITY-FUNCTIONAL METHODS; FERRIMAGNETIC SEMICONDUCTORS; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES INVESTIGATIONS; MAGNETIC AND OPTICAL PROPERTIES; SPIN-EXCHANGE SPLITTING;

ANTIFERROMAGNETISM; CALCULATIONS; CURIE TEMPERATURE; ELECTRONIC STRUCTURE; LANTHANUM COMPOUNDS; MAGNETIC MATERIALS; PEROVSKITE;

OPTICAL PROPERTIES;

EID: 84876099481     PISSN: 16741056     EISSN: None     Source Type: Journal    
DOI: 10.1088/1674-1056/22/4/047506     Document Type: Article

References (40)

1. Wang J, Neaton J B, Zheng H, Nagarajan V, Ogale S B, Liu B, Viehland D, Vaithyanathan V, Schlom D G, Waghmare U V, Spaldin N A, Rabe K M, Wuttig M and Ramesh R 2003 Science 299 1719 (Pubitemid 36337195)
2. Choi T, Lee S, Choi Y J, Kiryukhin V and Cheong S W 2009 Science 324 63
3. Ramazanoglu M, Laver M, Ratcliff II W, Watson S M, Chen W C, Jackson A, Kothapalli K, Lee S, Cheong S W and Kiryukhin1 V 2011 Phys. Rev. Lett. 107 207206
4. Wolf S A, Awschalom D D, Buhrman R A, Daughton J M, von Molnar S, Roukes M L, Chtchelkanova A Y and Treger D M 2001 Science 294 1488 (Pubitemid 33063913)
5. Muller G M, Walowski J, Djordjevic M, Miao G X, Gupta A, Ramos A V, Gehrke K, Moshnyaga V, Samwer K, Schmalhorst J, Thomas A, Hutten A, Reiss G, Moodera J S and Munzenberg M 2009 Nat. Mater. 8 56
6. de Groot R A, Mueller F M, van Engen P G and Buschow K H J 1983 Phys. Rev. Lett. 50 2024
7. Park J H, Vescovo E, Kim H J, Kwon C, Ramesh R and Venkatesan T 1998 Nature 392 794 (Pubitemid 28225314)
8. Kobayashi K I, Kimura T, Sawada H, Terakura K and Tokura Y 1998 Nature 395 677 (Pubitemid 28450679)
9. Ueda T K K and Tabata H 1998 Science 280 1064 (Pubitemid 28234945)
10. Serrate D, de Teresa J M and Ibarra M R 2007 J. Phys.: Conden. Matter 19 023201 and references therein (Pubitemid 46478606)
11. Opel M 2012 J. Phys. D 45 033001 and references therein
12. Boschker H, Kautz J, Houwman E P, Siemons W, Blank D H A, Huijben M, Koster G, Vailionis A and Rijnders G 2012 Phys. Rev. Lett. 109 157207
13. Hauser A J, Soliz J R, Dixit M, Williams R E A, Susner M A, Peters B, Mier L M, Gustafson T L, Sumption M D, Fraser H L, Woodward P M and Yang F Y 2012 Phys. Rev. B 85 161201(R)
14. Walker H C, Fabrizi F, Paolasini L, de Bergevin F, Herrero-Martin J, Boothroyd A T, Prabhakaran D and McMorrow D F 2011 Science 333 1273
15. Baettig P and Spaldin N A 2005 Appl. Phys. Lett. 86 012505 (Pubitemid 40211579)
16. Baettig P, Ederer C and Spaldin N A 2005 Phys. Rev. B 72 214105 (Pubitemid 43029317)
17. Nechache R, Harnagea C, Pignolet A, Normandin F, Veres T, Carignan L P and Menard D 2006 Appl. Phys. Lett. 89 102902 (Pubitemid 44359631)
18. Suchomel M R, Thomas C I, Allix M, Rosseinsky M J, Fogg A M and Thomas M F 2007 Appl. Phys. Lett. 90 112909 (Pubitemid 46439817)
19. Kim D H, Lee H N, Biegalski M D and Christen H M 2007 Appl. Phys. Lett. 91 042906 (Pubitemid 47174485)
20. Kamba S, Nuzhnyy D, Nechache R, Zaveta K, Niznansk D, Santav E, Harnagea C and Pignolet A 2008 Phys. Rev. B 77 104111
21. Nechache R, Harnagea C, Carignan L P, Gautreau O, Pintilie L, Singh M P, Menard D, Fournier P, Alexe M and Pignolet A 2009 J. Appl. Phys. 105 061621
22. Aissa B, Nechache R, Therriault D, Rosei F and Nedil M 2011 Appl. Phys. Lett. 99 183505
23. Nechache R, Harnagea C and Pignolet A 2012 J. Phys.: Condens. Matter 24 096001
24. Hohenberg P and Kohn W 1964 Phys. Rev. 136 B864
25. Kohn W and Sham L J 1965 Phys. Rev. 140 A1133
26. Blaha P, Schwarz K, Sorantin P and Trickey S B 1990 Comput. Phys. Commun. 59 399 (Pubitemid 20710175)
27. Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
28. Perdew J P and Wang Y 1992 Phys. Rev. B 45 13244
29. Tran F and Blaha P 2009 Phys. Rev. Lett. 102 226401
30. MacDonald A H, Pickett W E and Koelling D D 1980 J. Phys. C 13 2675
31. Singh D 1994 Plane Waves, Pseudopotentials and the LAPW Method (Boston: Kluwer Academic)
32. Kunes J, Novak P, Schmid R, Blaha P and Schwarz K 2001 Phys. Rev. B 64 153102
33. Metropolis N, Rosenbluth A W, Rosenbluth M N, Teller A M and Teller E 1953 J. Chem. Phys. 21 1087
34. Binder K and Heermann D W 2002 Monte Carlo Simulation in Statistical Physics (Berlin: Springer)
35. Ju S and Guo G Y 2008 Appl. Phys. Lett. 92 202504 (Pubitemid 351733906)
36. Goffinet M, Iniguez J and Ghosez P 2012 Phys. Rev. B 86 024415
37. Gong S and Liu B G 2011 Phys. Lett. A 375 1477
38. Gong S and Liu B G 2012 Chin. Phys. B 21 057104
39. Guo S D and Liu B G 2012 Chin. Phys. B 21 017101
40. Guo S D and Liu B G 2012 J. Phys.: Condens. Matter 24 045502