First-principles calculations of electronic and optical properties of Fe3-xVxAl (x = 0-3) compounds

Journal of Physics Condensed Matter

Volumn 21, Issue 44, 2009, Pages

  Kumar, Manish ^a,b   Nautiyal, Tashi ^a   Auluck, Sushil ^c  

^a INDIAN INSTITUTE OF TECHNOLOGY ROORKEE   (India)

^b KURUKSHETRA UNIVERSITY   (India)

^c INDIAN INSTITUTE OF TECHNOLOGY KANPUR   (India)

Author keywords

[No Author keywords available]

Indexed keywords

CONCENTRATION OF; ELECTRONIC STRUCTURE AND OPTICAL PROPERTIES; EXPERIMENTAL SPECTRA; FIRST-PRINCIPLES CALCULATION; FULL POTENTIAL LINEARIZED AUGMENTED PLANE WAVE METHOD; GENERALIZED GRADIENT APPROXIMATIONS; INTRABAND TRANSITIONS; KERR EFFECTS; KERR ROTATION; MAGNETIC COMPOUNDS; MAGNETO-OPTICAL; OFF-DIAGONAL COMPONENTS; PSEUDO-GAP; SYSTEMATIC ANALYSIS;

ALUMINUM; ELECTRONIC STRUCTURE; IRON COMPOUNDS; KERR MAGNETOOPTICAL EFFECT; MAGNETIC FIELD EFFECTS; OPTICAL CONDUCTIVITY; OPTICAL KERR EFFECT;

VANADIUM COMPOUNDS;

EID: 72049091198     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/21/44/446001     Document Type: Article

References (40)

1. Kato M, Nishino Y, Mizutani U and Asano S 2002 J. Phys.: Condens. Matter 12 1769
2. Ooiwa K and Endo K 1998 J. Magn. Magn. Mater. 177 1443
3. Guo G Y, Botton G A and Nishino Y 1998 J. Phys.: Condens. Matter 10 19
4. Singh D J and Mazin I I 1998 Phys. Rev. B 57 14352
5. Ruben W and Pickett W E 1998 Phys. Rev. B 58 6855
6. Bansil A, Kaprzyk S, Mijnarends P E and Tobola J 1999 Phys. Rev. B 60 13396
7. Burch T J, Raj K, Jena P, Budnick J I, Nichlescu V and Mair W B 1979 Phys. Rev. B 19 2933
8. Pickart S J and Nathans R 1961 Phys. Rev. 123 1163
9. Kumar M and Auluck S 2007 Physica B 390 185
10. Okamura H, Kawahara J, Nanba T, Kimura S, Soda K, Mizutani U, Nishino Y, Kato M, Shimoyama I, Miura H, Fukui K, Nakagawa K, Nakagawa H and Kinoshita T 2000 Phys. Rev. Lett. 84 3674
11. Wootan F 1972 Optical Properties of Solid (New York: Academic)
12. Shreder E I, Kirillova M M, Makhnev A A and Dyakina V P 2002 Phys. Met. Metallogr. 93 152
13. Villars P and Calvert L D 1991 Pearson's Handbook of Crystallographic Data for Intermetallic Phase (Materials Park, OH: ASM)
14. Watson R E and Weinert M 1998 Phys. Rev. B 58 5981
15. Kubo R 1957 J. Phys. Soc. Japan 12 570
16. Wang C S and Callaway J 1974 Phys. Rev. B 9 4897
17. Drude P 1900 Z. Phys. 1 161
18. Sommerfeld A and Bethe H 1933 Handbuch der Physik (Berlin: Springer)
19. Kahn F J, Pershan P S and Remeika J P 1969 Phys. Rev. 186 891
20. Reim W and Schoenes J 1990 Ferromagnetic Materials vol 4 ed E P Wohlfarth and K H J Buschow (Amsterdam: North-Holland) chapter 5 p493
21. Blaha P, Schwarz K, Madsen G K H, Kvasnicka D and Luitz J 2001 WIEN2k, An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties Karlheinz Schwarz, Techn. Universitat Wien, Wien, Austria, ISBN 3-9501031-1-2
22. Singh D J 1994 Plane Waves, Peudopotential and the LAPW Method (Boston: Kluwer-Academic)
23. Wimmer E, Krakauer H, Weinert M and Freeman A J 1984 Phys. Rev. B 24 864
24. Weinert M, Wimmer E and Freeman A J 1982 Phys. Rev. B 26 4571
25. Perdew J P and Wang Y 1992 Phys. Rev. B 45 13244
26. Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
27. Bennett H S and Stern E A 1965 Phys. Rev. 137 A448
28. Kunes J, Novak P, Divis M and Oppeneer P M 2001 Phys. Rev. B 63 205111
29. Hsu L S, Wang Y K, Guo G Y, Soda K, Hayasaki M and Mizutani U 2002 Phys. Rev. B 66 205203
30. Xu B, Liu J and Yi L 2007 Phys. Lett. A 363 312
31. Klein B M, Boyer L L and Papaconstantopoulos D A 1978 Phys. Rev. B 18 6411
32. Nishino Y, Kato M, Asano S, Soda K, Hayasaki M and Mizutani U 1997 Phys. Rev. Lett. 79 1909
33. Guoy G Y, Bottonz G A and Nishinok Y 1998 J. Phys.: Condens. Matter 10 L119
34. Wakiyama T 1972 J. Phys. Soc. Japan 32 1222
35. Bansil A, Kaprzyk S, Mijnarends P E and Tobola J 1999 Phys. Rev. B 60 13396
36. Podgornykh S M, Svyazhin A D, Shreder E I, Marchenkov V V and Dyakina V P 2007 JETP 105 42
37. Kumar M, Nautiyal T and Auluck S 2009 J. Phys.: Condens. Matter 21 196003
38. Ozolins V and Korling M 1993 Phys. Rev. B 48 18304
39. Mazin I I, Singh D J and Draxl-Ambrosch C 1999 Phys. Rev. B 59 411
40. Weng H, Kawazoe Y and Dong J 2006 Phys. Rev. B 74 085205