Calculations of the Atomic and the Electronic Structures of 4d-Transition-Metal Nitrides
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| Format: | Artículo científico |
| Langue: | en |
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Sociedade Brasileira de Física
2006
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| _version_ | 1876473811687178240 |
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| author | R. de Paiva |
| author_facet | R. de Paiva |
| contents | Calculations of the Atomic and the Electronic Structures of 4d-Transition-Metal Nitrides R. de Paiva R. A. Nogueira J. L. A. Alves Física, Astronomía y Matemáticas 4d First transition principles metal nitrides A systematic study of the zinc-blende-type 4d-transition-metal nitrides, which still need to be synthesized, iscarried out by means of spin-polarized first-principles full-potential-linearized-augmented-plane- wave calculationsusing the local spin density approximation. In particular, lattice constants, bulk moduli, band structuresand density of states are reported, and trends are discussed. 2006 artículo científico 0103-9733 https://www.redalyc.org/articulo.oa?id=46436364 en http://www.redalyc.org/revista.oa?id=464 Brazilian Journal of Physics application/pdf Sociedade Brasileira de Física Brazilian Journal of Physics (Brasil) Num.2A Vol.36 |
| format | Artículo científico |
| id | redalyc_46436364 |
| institution | Redalyc |
| language | en |
| publishDate | 2006 |
| publisher | Sociedade Brasileira de Física |
| spellingShingle | Calculations of the Atomic and the Electronic Structures of 4d-Transition-Metal Nitrides R. de Paiva Física, Astronomía y Matemáticas 4d First transition principles metal nitrides Calculations of the Atomic and the Electronic Structures of 4d-Transition-Metal Nitrides R. de Paiva R. A. Nogueira J. L. A. Alves Física, Astronomía y Matemáticas 4d First transition principles metal nitrides A systematic study of the zinc-blende-type 4d-transition-metal nitrides, which still need to be synthesized, iscarried out by means of spin-polarized first-principles full-potential-linearized-augmented-plane- wave calculationsusing the local spin density approximation. In particular, lattice constants, bulk moduli, band structuresand density of states are reported, and trends are discussed. 2006 artículo científico 0103-9733 https://www.redalyc.org/articulo.oa?id=46436364 en http://www.redalyc.org/revista.oa?id=464 Brazilian Journal of Physics application/pdf Sociedade Brasileira de Física Brazilian Journal of Physics (Brasil) Num.2A Vol.36 |
| title | Calculations of the Atomic and the Electronic Structures of 4d-Transition-Metal Nitrides |
| topic | Física, Astronomía y Matemáticas 4d First transition principles metal nitrides |
| url | https://www.redalyc.org/articulo.oa?id=46436364 |