Role of carbon in AlC Ni3 and GaC Ni3: A density functional theory study

Physical Review B - Condensed Matter and Materials Physics

Volumn 75, Issue 2, 2007, Pages

  Sieberer, M ^a   Mohn, P ^a   Redinger, J ^a  

^a CENTER FOR COMPUTATIONAL MATERIALS SCIENCE   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33846619621     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.75.024431     Document Type: Article

References (25)

1. T. He, Nature (London) NATUAS 0028-0836 10.1038/35075014 411, 54 (2001).
2. M. D. Johannes and W. E. Pickett, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.060507 70, 060507 (R) (2004).
3. M. S. Park, J. S. Giim, S. H. Park, Y. W. Lee, S. I. Lee, and E. J. Choi, Semicond. Sci. Technol. SSTEET 0268-1242 17, 274 (2004).
4. P. Tong, Y. P. Sun, X. B. Zhu, and W. H. Song, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.245106 73, 245106 (2006).
5. A. F. Dong, G. C. Che, W. W. Huang, S. L. Jia, H. Chen, and Z. X. Zhao, Physica C PHYCE6 0921-4534 10.1016/j.physc.2005.03.007 422, 65 (2005).
6. J. B. Goodenough and M. Longo, in Magnetic and Other Properties of Oxides and Related Compounds, edited by, K.-H. Hellwege, and, A. M. Hellwege,, Landolt-Börnstein-Group III Condensed Matter, New Series, Vol. 4, Part (Springer-Verlag, Berlin, 1970), pp. 266-269.
7. P. Eckerlin and H. Kandler, in Structure Data of Elements and Intermetallic Phases, edited by, K.-H. Hellwege, and, A. M. Hellwege,, Landolt-Börnstein-Group III Condensed Matter, New Series, Vol. 6 (Springer-Verlag, Berlin, 1971), pp. 94-108.
8. C. M. I. Okoye, Solid State Commun. SSCOA4 0038-1098 10.1016/j.ssc.2005. 09.033 136, 605 (2005).
9. E. Wimmer, H. Krakauer, M. Weinert, and A. J. Freeman, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.24.864 24, 864 (1981).
10. M. Sieberer, S. Khmelevskyi, and P. Mohn, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.74.014416 74, 014416 (2006).
11. Computer code FLAIR (2006), http://www.uwm.edu/~weinert/flair.html
12. W. Kohn and L. J. Sham, Phys. Rev. PRVAAH 0096-8250 10.1103/PhysRev.140. A1133 140, A1133 (1965).
13. J. P. Perdew and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.23.5048 23, 5048 (1981).
14. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.45.566 45, 566 (1980).
15. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
16. W. B. Pearson, A Handbook of Lattice Spacings and Structures of Metals and Alloys (Pergamon, New York, 1958).
17. G. Y. Guo, Y. K. Wang, and L.-S. Hsu, J. Magn. Magn. Mater. JMMMDC 0304-8853 10.1016/S0304-8853(01)00564-9 239, 91 (2002).
18. D. J. Singh and I. I. Mazin, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.140507 64, 140507 (R) (2001).
19. H. Rosner, R. Weht, M. D. Johannes, W. E. Pickett, and E. Tosatti, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.88.027001 88, 027001 (2002).
20. S. B. Dugdale and T. Jarlborg, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.100508 64, 100508 (R) (2001).
21. F. D. Murnaghan, Proc. Natl. Acad. Sci. U.S.A. PNASA6 0027-8424 10.1073/pnas.30.9.244 30, 244 (1944).
22. G. L. Krasko, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.36.8565 36, 8565 (1987).
23. F. R. de Boer, C. J. Schinkel, J. Biesterbos, and S. Proost, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1657528 30, 1049 (1969).
24. A. Aguayo, I. I. Mazin, and D. J. Singh, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.92.147201 92, 147201 (2004).
25. Computer code POWDERCELL (Bundesanstalt für Materialforschung und -prüfung, 2006), http://www.bam.de/de/service/publikationen/powder_cell.htm