First-principles study of the effect of nitrogen vacancies on the decomposition pattern in cubic Ti1-x Alx N1-y

Applied Physics Letters

Volumn 92, Issue 7, 2008, Pages

  Alling, B ^a,b   Karimi, A ^b   Hultman, L ^a   Abrikosov, I A ^a  

^a LINKÖPING UNIVERSITY   (Sweden)

^b EPFL   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM ALLOYS; DECOMPOSITION; NITROGEN; STOICHIOMETRY; TITANIUM ALLOYS;

FIRST PRINCIPLES STUDY; NITROGEN VACANCIES;

VACANCIES;

EID: 39749098910     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2838747     Document Type: Article

References (13)

1. A. Hörling, L. Hultman, M. Oden, J. Sjölen, and L. Karlsson, J. Vac. Sci. Technol. A JVTAD6 0734-2101 10.1116/1.1503784 20, 1815 (2002).
2. P. H. Mayrhofer, A. Hörling, L. Karlsson, J. Sjöĺn, T. Larsson, C. Mitterer, and L. Hultman, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1608464 83, 2049 (2003).
3. B. Alling, A. V. Ruban, A. Karimi, O. E. Peil, S. I. Simak, L. Hultman, and I. A. Abrikosov, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.75.045123 75, 045123 (2007).
4. M. W. Barsoum, Prog. Solid State Chem. PSSTAW 0079-6786 10.1016/S0079-6786(00)00006-6 28, 201 (2000).
5. I. A. Abrikosov, A. M. N. Niklasson, S. I. Simak, B. Johansson, A. V. Ruban, and H. L. Skriver, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett. 76.4203 76, 4203 (1996).
6. I. A. Abrikosov, S. I. Simak, B. Johansson, A. V. Ruban, and H. L. Skriver, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.56.9319 56, 9319 (1997).
7. J. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
8. P. E. Blöchl, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50. 17953 50, 17953 (1994).
9. G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.49.14251 49, 14251 (1994).
10. G. Kresse and J. Joubert, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.1758 59, 1758 (1999).
11. M. Asta, D. de Fontaine, M. van Schilfgaarde, M. Sluiter, and M. Methfessel, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.46.5055 46, 5055 (1992).
12. C. S. Shin, D. Gall, N. Hellgren, J. Patscheider, I. Petrov, and J. E. Greene, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1568521 93, 6025 (2003).
13. M. Beckers, N. Schell, R. M. S. Martins, A. Mücklich, W. Möller, and L. Hultman, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.2786871 102, 074916 (2007).