Effect of chemical and hydrostatic pressures on structural and magnetic properties of rare-earth orthoferrites: A first-principles study

Journal of Physics Condensed Matter

Volumn 25, Issue 46, 2013, Pages

  Zhao, Hong Jian ^a,b   Ren, Wei ^b,c   Yang, Yurong ^b   Chen, Xiang Ming ^a   Bellaiche, L ^b  

^a ZHEJIANG UNIVERSITY   (China)

^b UNIVERSITY OF ARKANSAS   (United States)

^c SHANGHAI UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; CHEMICAL PRESSURES; EFFECT OF CHEMICALS; FERROMAGNETIC MOMENTS; FIRST-PRINCIPLES STUDY; LINEAR FUNCTIONS; MAGNETIC BEHAVIOR; STRUCTURAL AND MAGNETIC PROPERTIES;

CALCULATIONS; IONIC CONDUCTION IN SOLIDS; MAGNETIC PROPERTIES;

HYDROSTATIC PRESSURE;

EID: 84887006939     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/25/46/466002     Document Type: Article

References (34)

1. Marezio M, Remeika J P and Dernier P D 1970 Acta Crystallogr. B 26 2008
2. White R W 1969 J. Appl. Phys. 40 1061
3. Treves D 1962 Phys. Rev. 125 1843
4. Sundarayya Y, Mandal P, Sundaresan A and Rao C N R 2011 J. Phys.: Condens. Matter 23 436001
5. Yuan S J, Ren W, Hong F, Wang Y B, Zhang J C, Bellaiche L, Cao S X and Cao G 2013 Phys. Rev. B 87 184405
6. Lee J H, Jeong Y K, Park J H, Oak M A, Jang H M, Son J Y and Scott J F 2011 Phys. Rev. Lett. 107 117201
7. Johnson R D, Terada N and Radaelli P G 2012 Phys. Rev. Lett. 108 219701
8. Zhou J S and Goodenough J B 2008 Phys. Rev. B 77 132104
9. Marezio M and Dernier P D 1971 Mater. Res. Bull. 6 23
10. Treves D 1965 J. Appl. Phys. 36 1033
11. Eibschütz M, Shtrikman S and Treves D 1967 Phys. Rev. 156 562
12. Diéguez O, González-Vázquez O E, Wojdeł J C and Íñiguez J 2011 Phys. Rev. B 83 094105
13. Bellaiche L, Gui Z and Kornev I A 2012 J. Phys.: Condens. Matter 24 312201
14. Wang Y, Hao X, Yang J, Xu J and Zhao D 2012 J. Appl. Phys. 112 034105
15. Kan D, Pálová L, Anbusathaiah V, Cheng C J, Fujino S, Nagarajan V, Rabe K M and Takeuchi I 2010 Adv. Funct. Mater. 20 1108
16. Kresse G and Joubert D 1999 Phys. Rev. B 59 1758
17. Perdew J P, Chevary J A, Vosko S H, Jackson K A, Pederson M R, Singh D J and Fiolhais C 1992 Phys. Rev. B 46 6671
18. Wang Y and Perdew J P 1991 Phys. Rev. B 44 13298
19. Stroppa A, Marsman M, Kresse G and Picozzi S 2010 New J. Phys. 12 093026
20. Shannon R 1976 Acta Crystallogr. A 32 751
21. Zhou J S, Alonso J A, Pomjakushin V, Goodenough J B, Ren Y, Yan J Q and Cheng J G 2010 Phys. Rev. B 81 214115
22. Glazer A 1972 Acta Crystallogr. B 28 3384
23. Wijn H P J 1994 Perovskites II, Oxides with Corundum, Ilmenite and Amorphous Structures vol 27F3 ed H P J Wijn (Berlin: Springer) p 107
24. Wijn H P J 1994 Perovskites II, Oxides with Corundum, Ilmenite and Amorphous Structures vol 27F3 ed H P J Wijn (Berlin: Springer) p 108
25. Pincus P 1960 Phys. Rev. Lett. 5 13
26. Dzyaloshinsky I 1958 J. Phys. Chem. Solids 4 241
27. Moriya T 1960 Phys. Rev. 120 91
28. Kornev I A, Bellaiche L, Janolin P E, Dkhil B and Suard E 2006 Phys. Rev. Lett. 97 157601 (Pubitemid 44570399)
29. Henkelman G, Arnaldsson A and Jónsson H 2006 Comput. Mater. Sci. 36 354 (Pubitemid 44382438)
30. Zhao H J, Ren W, Chen X M and Bellaiche L 2013 J. Phys.: Condens. Matter 25 385604
31. Pierce R D, Wolfe R and Van Uitert L G 1969 J. Appl. Phys. 40 1241
32. Belov K P, Kadomtseva A M, Kononenko A S, Uskov V V and Chervonenkis A Y 1970 Sov. Phys. - JETP 32 417
33. Prosandeev S, Wang D, Ren W, Íñiguez J and Bellaiche L 2013 Adv. Funct. Mater. 23 234
34. Liu S, Grinberg I and Rappe A M 2013 J. Phys.: Condens. Matter 25 102202