Ab initio lattice dynamics and electron-phonon coupling in the refractory compounds ZrN and HfN

Physical Review B - Condensed Matter and Materials Physics

Volumn 71, Issue 9, 2005, Pages

  Heid, R ^a   Bohnen, K P ^a   Renker, B ^a   Wolf, T ^a   Schober, H ^b  

^a KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

^b INSTITUT LAUE LANGEVIN   (France)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATION; ACCURACY; ARTICLE; CRYSTAL STRUCTURE; DENSITY; DISPERSION; ELECTRON; MOLECULAR DYNAMICS; NEUTRON SCATTERING; OPTICS; PHONON; TECHNIQUE; THEORY;

EID: 20344374635     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.71.092302     Document Type: Article

References (18)

1. H. Rietschel, H. Winter, and W. Reichardt, Phys. Rev. B 22, 4284 (1980).
2. J. Geerk, G. Linker, and R. Smithey, Phys. Rev. Lett. 57, 3284 (1986).
3. A. N. Christensen, O. W. Dietrich, W. Kress, and W. D. Teuchert, Phys. Rev. B 19, 5699 (1979).
4. R. Heid and K.-P. Bohnen, Phys. Rev. B 60, R3709 (1999).
5. R. Heid, K.-P. Bohnen, and B. Renker, Adv. Solid State Phys. 42, 293 (2002).
6. G. B. Bachelet, D. R. Hamann, and M. Schlüter, Phys. Rev. B 26, 4199 (1982).
7. D. Vanderbilt, Phys. Rev. B 32, 8412 (1985).
8. M. Yamamoto, M. Kurahashi, C. T. Chan, K. M. Ho, and S. Naito, Surf. Sci. 387, 300 (1997).
9. S. G. Louie, K.-M. Ho, and M. L. Cohen, Phys. Rev. B 19, 1774 (1979).
10. B. Meyer, C. Elsässer, and M. Fähnle, FORTRAN90 Program for Mixed-Basis Pseudopotential Calculations for Crystals, Max-Planck-Institut für Metallforschung, Stuttgart.
11. L. Hedin and B. J. Lundqvist, J. Phys. C 4, 2064 (1971).
12. A. N. Christensen, W. Kress, M. Miura, and N. Lehner, Phys. Rev. B 28, 977 (1983).
13. H. Schober, A. Tölle, B. Renker, R. Heid, and F. Gompf, Phys. Rev. B 56, 5937 (1997).
14. W. Spengler and R. Kaiser, Solid State Commun. 18, 881 (1976).
15. C. Stampfl, W. Mannstadt, R. Asahi, and A. J. Freeman, Phys. Rev. B 63, 155 106 (2001).
16. T. Wolf, Ph.D. thesis, University of Karlsruhe, 1982.
17. G. Ries and H. Winter, J. Phys. F: Met. Phys. 9, 1589 (1979).
18. Part of this discrepancy may be due to the neglect of spin-orbit coupling for Hf.