PL EN


Preferences help
enabled [disable] Abstract
Number of results
2013 | 123 | 2 | 317-319
Article title

First Principles Study of Phonon Dispersion Curved for Yttrium Nitride

Content
Title variants
Languages of publication
EN
Abstracts
EN
We present first-principles calculations of the structural and lattice-dynamical properties for cubic yttrium nitride. The ground state properties, such as the lattice constant and the bulk modulus, are calculated using a plane wave pseudopotential method within density functional theory. A linear-response approach to density functional theory is used to derive the phonon frequencies. In this work, we present plane-wave pseudopotential calculations within density functional theory and calculate the phonon frequencies for high symmetry points.
Keywords
EN
Year
Volume
123
Issue
2
Pages
317-319
Physical description
Dates
published
2013-02
References
  • [1] M. Kumar, T. Nautiyal, S. Auluck, J. Phys., Condens. Matter 21, 446001 (2009)
  • [2] S. Berrah, A. Boukortt, H. Abid, Phys. Ser. 75, 414 (2007)
  • [3] M. Ferhat, A. Zaoui, Phys. Rev. B 73, 115107 (2006)
  • [4] Y. Xu, W.Y. Ching, Phys. Rev. B 48, 4335 (1993)
  • [5] L. Mancera, J.A. Rodriguez, N. Takeuchi, J. Phys., Condens. Matter 15, 2625 (2003)
  • [6] C. Stampfl, W. Mannstadt, R. Asahi, A.J. Freeman, Phys. Rev. B 63, 155106 (2001)
  • [7] W. De La Cruz, J.A. Diaz, L. Mancera, N. Takeuchi, G. Sato, J. Phys. Chem. Solids 64, 2273 (2003)
  • [8] B. Armani, F. El Haj Hassan, Comput. Mater. Sci. 39, 563 (2007)
  • [9] K. Inumaru, T. Ohara, S. Yamanaka, Appl. Surf. Sci. 158, 375 (2000)
  • [10] S. Yang, D.B. Lewis, I. Wadsworth, J. Cawley, J.S. Brooksadn, W.D. Munz, Surf. Coat. Technol. 131, 228 (2002)
  • [11] W.E. Pickett, Comput. Phys. Rep. 9, 115 (1989)
  • [12] S. Baroni, A. Dal Corso, S. de Gironcoli, P. Giannozzi, http://www.pwscf.org
  • [13] J.P. Perdew, Y. Wang, Phys. Rev. B 45, 13244 (1992)
  • [14] J.P. Perdew, S. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1992)
  • [15] P. Vinet, J. Ferrante, J. Smith, J. Rose, J. Phys. C 19, 467 (1986)
  • [16] A.M. Karo, J. Hardy, Phys. Rev. 129, 2024 (1963)
  • [17] N. Takeuchi, J. Phys. Rev. B 66, 153405 (2002)
  • [18] E. Deligöz, K. Çolakoğlu, Y.Ö. Çiftci, H. Özışık, J. Phys., Condens. Matter 19, 436204 (2007)
  • [19] A. Belabbes, A. Zaoui, M. Ferhat, J. Phys., Condens. Matter 20, 415221 (2008)
Document Type
Publication order reference
YADDA identifier
bwmeta1.element.bwnjournal-article-appv123n2054kz
Identifiers
JavaScript is turned off in your web browser. Turn it on to take full advantage of this site, then refresh the page.