First-principles study of the dielectric and dynamical properties of orthorhombic CaMnO3

Journal of Physics Condensed Matter

Volumn 20, Issue 25, 2008, Pages

  Bhattacharjee, Satadeep ^a   Bousquet, Eric ^a   Ghosez, Philippe ^a  

^a UNIVERSITY OF LIÈGE   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPY; BORN APPROXIMATION; CRYSTAL STRUCTURE; INFRARED RADIATION; PARAMETER ESTIMATION; PHASE INTERFACES;

FIRST-PRINCIPLES STUDY; INFRARED PHONON MEASUREMENTS; ORTHORHOMBIC PHASES; RAMAN DATA; STRUCTURAL PARAMETERS;

CALCIUM COMPOUNDS;

EID: 44649157145     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/20/25/255229     Document Type: Article

References (21)

1. Martin C, Maignan A, Hervieu M and Raveau B 1999 Phys. Rev. B 60 12191
2. Loshkareva N N, Nomerovannya L V, Mostovshchikova E V, Makhnev A A, Sukhorukov Yu P, Solin N I, Arbuzova T I, Naumov S V, Kostromitina N V, Balbashov A M and Rybina L N 2004 Phys. Rev. B 70 224406
3. Wollan E O and Koehler W C 1955 Phys. Rev. 100 545
4. Poeppelmeir K R, Leonowicz M E, Scanlon J C, Longo J M and Yelon Y B 1982 J. Solid State Chem. 45 71
5. Matar S F 2003 Prog. Solid State Chem. 31 239
6. Jung J H, Kim K H, Eom D J, Noh T W, Choi E J, Yu J, Kwon Y S and Chung Y 1997 Phys. Rev. B 55 15489
7. Freyria Fava F, Arco Ph D', Orlando R and Dovesi R 1997 J. Phys.: Condens. Matter 9 489
8. Nicastro M and Patterson C H 2002 Phys. Rev. B 65 205111
9. Gonze X, Beuken J-M, Caracas R, Detraux F, Fuchs M, Rignanese G-M, Sindic L, Verstraete M, Zerah G, Jollet F, Torrent M, Roy A, Mikami M, Ghosez Ph, Raty J-Y and Allan D C 2002 Comput. Mater. Sci. 25 478-92
10. Hartwigsen C, Goedecker S and Hutter J 1998 Phys. Rev. B 58 3641
11. Gonze X and Lee C 1997 Phys. Rev. B 55 10355
12. Taguchi H, Nagao M, Sato T and Shimada M 1989 J. Solid State Chem. 78 312
13. Rabe K M and Ghosez Ph 2007 Top. Appl. Phys. 105 117
14. Jung J H et al 1997 Phys. Rev. B 55 15489
15. Abrashev M V et al 2002 Phys. Rev. B 65 184301
16. Cockayne E and Burton B P 2000 Phys. Rev. B 62 3735
17. Ghosez Ph, Michenaud J-P and Gonze X 1998 Phys. Rev. B 58 6224
18. Ghosez Ph, Gonze X and Godby R W 1997 Phys. Rev. B 56 12811
19. Filippetti A and Hill N A 2002 Phys. Rev. B 65 195120
20. Perebeinos V and Allen P B 2001 Phys. Rev. B 64 085118
21. Fedorov I, Lorenzana J, Dore P, De Marzi G, Maselli P, Calvani P, Cheong S W, Koval S and Migoni R 1999 Phys. Rev. B 60 11875