Effect of local atomic disorder on the half-metallicity of full-Heusler Co2FeSi alloy: A first-principles study

Chinese Physics B

Volumn 19, Issue 9, 2010, Pages

  Li, Guan Nan ^a,b   Jin, Ying Jiu ^a   Lee, Jae Il ^c  

^a YANBIAN UNIVERSITY   (China)

^b HUAIYIN INSTITUTE OF TECHNOLOGY   (China)

^c Inha University   (South Korea)

Author keywords

Electronic structure; Full Heusler alloy; Full potential linearized augmented plane wave method; Half metallicity

Indexed keywords

ATOMIC DISORDER; DISORDER LEVELS; FE-SI ALLOYS; FIRST-PRINCIPLES STUDY; FULL POTENTIAL LINEARIZED AUGMENTED PLANE WAVE METHOD; GENERALIZED GRADIENT APPROXIMATIONS; HALF-METALLICITY; HEUSLER; HEUSLER ALLOYS; MINORITY BANDS; TOTAL ENERGY CALCULATION;

ATOMS; CRYSTAL ATOMIC STRUCTURE; ELASTIC WAVES; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; LINEARIZATION; SILICON; SILICON ALLOYS;

IRON ALLOYS;

EID: 78649369469     PISSN: 16741056     EISSN: None     Source Type: Journal    
DOI: 10.1088/1674-1056/19/9/097102     Document Type: Article

References (29)

1. de Groot R A, Mueller F M, van Engen P G and Buschow K H J 1983 Phys. Rev. Lett. 50 2024
2. Ishida S, Fujii S, Kashiwagi S and Asano S 1995 J. Phys. Soc. Jpn. 64 2152
3. Galanakis I, Dederichs P H and Papanikolaou N 2002 Phys. Rev. B 66 174429
4. Wurmehl S, Fecher G H, Kandpal H C, Ksenofontov V, Felser C, Lin H J and Morais J 2005 Phys. Rev. B 72 184434
5. Hohenberg P and Kohn W 1964 Phys. Rev. B 136 864
6. Kohn W and Sham L J 1965 Phys. Rev. A 140 1133
7. Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
8. Kandpal H C, Fecher G H and Felser C 2006 Phys. Rev. B 73 094422
9. Anisimov V I, Aryasetiawan F and Lichtenstein A I 1997 J. Phys.: Condens. Matter 9 767
10. Fang Z J, Shi L J, Liu y H and Liu Z 2009 Chin. Phys. B 17 4279
11. Wang Z J, Li S C, Wang L y and Liu Z 2009 Chin. Phys. B 18 2992
12. Ying M J, Zhang P and Du X L 2009 Chin. Phys. B 18 2945
13. Yun J N and Zhang Z y 2009 Chin. Phys. B 18 275
14. Galanakis I and Mavropoulos Ph 2007 J. Phys.: Condens. Matter 19 315213
15. Picozzi S, Continenza A and Freeman A J 2004 Phys. Rev. B 69 094423
16. Galanakis I, Özdoǧan K, Aktaş B and Şaşioǧlu E 2006 Appl. Phys. Lett. 89 042502
17. Gercsi Z and Hono K 2007 J. Phys.: Condens. Matter 19 326216
18. Wimmer E, Krakauer H, Weinert M and Freeman A J 1981 Phys. Rev. B 24 864
19. http://www.flapw.de
20. Koelling D D and Harmon B N 1977 J. Phys. C: Solid State Phys. 10 3107
21. Niculescu V, Budnick J I, Hines W A, Raj K, Pickart S and Skalski S 1979 Phys. Rev. B 19 452
22. Niculescu V, Burch T J, Raj K and Budnick J I 1977 J. Magn. Magn. Mater. 5 60
23. Kandpal H C, Fecher G H and Felser C 2007 J. Phys. D: Appl. Phys. 40 1507
24. Antonov V N, Kukusta D A, Shpak A P and Yaresko A N 2008 Condensed Matter Physics 11 627
25. Teramura Y, Tanaka A and Jo T 1996 J. Phys. Soc. Jpn. 65 1053
26. Park C H, Kim I G, Lee B C and Lee J I 2004 Phys. Stat. Sol. (b) 241 1419
27. Hülsen B, Scheffler M and Kratzer P 2009 Phys. Rev. B 79 094407
28. Khosravizadeh S, Hashemifar S J and Akbarzadeh H 2009 Phys. Rev. B 79 235203
29. Orgassa D, Fujiwara H, Schulthess T C and Butler W H 1999 Phys. Rev. B 60 13237