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2009 | 115 | 1 | 275-277

Article title

Ab Initio Calculations of Magnetic Properties of Wurtzite Al_{0.9375}TM_{0.0625}N (TM = V, Cr, Mn, Fe, Co, Ni)

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EN

Abstracts

EN
The electronic structure of transition metal (TM) doped aluminium nitride was presented. The calculations were made within density functional theory and supercell approximation. It was found that the ferromagnetic ground states were possible without additional dopants in V-, Cr-, Mn-doped AlN.

Keywords

Contributors

author
  • Institute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 17, 60-179 Poznań, Poland
author
  • Institute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 17, 60-179 Poznań, Poland

References

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  • 6. H.X. Liu, Stephen Y. Wu, R.K. Singh, L. Gu, D.J. Smith, N. Newman, N.R. Dilley, L. Montes, M.B. Simmonds, Appl. Phys. Lett. 85, 4076 (2004)
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  • 10. Quantum-Espresso is a community project for high-quality quantum-simulation software, based on density-functional theory, and coordinated by Paolo Giannozzi. See http://www.quantum-espresso.org and http://www.pwscf.org
  • 11. B. Belhadji, L. Bergqvist, R. Zeller, P.H. Dederichs, K. Sato, H. Katayama-Yoshida, J. Phys.: Condens. Matter 19, 436227 (2007)
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Document Type

Publication order reference

Identifiers

YADDA identifier

bwmeta1.element.bwnjournal-article-appv115n1077kz
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