https://libeldoc.bsuir.by/handle/123456789/33087| Title: | Ab-initio simulation of vanadium oxide electronic properties |
| Authors: | Koleshko, V. M. Gulay, A. Gulay, V. Bobachenok, I. Kozlova, O. Nelayev, V. V. |
| Keywords: | материалы конференций;VASP;PAW-method |
| Issue Date: | 2013 |
| Publisher: | БГУИР |
| Citation: | Ab-initio simulation of vanadium oxide electronic properties / V. Koleshko and other // Nano-Design, Technology, Computer Simulation — NDTCS ’ 2013: proceedings of the 15th International Workshop on New Approaches to High-Tech, Minsk, June 11–15, 2013 / BSUIR. - Minsk, 2013. - P. 118 – 119. |
| Abstract: | The modeling of the electronic properties of vanadium oxides with the effect of the Mott— Hubbard was conducted. Software package VASP was used as the simulation tool, in particular,r method of augmented plane wave (PAW-method). Calculated electron densities and the band structures of vanadium compounds of homologous series VnOn+1 and VnOn-1 are presented. |
| URI: | https://libeldoc.bsuir.by/handle/123456789/33087 |
| Appears in Collections: | NDTCS 2013 |
| File | Description | Size | Format | |
|---|---|---|---|---|
| Koleshko_Ab.pdf | 216.78 kB | Adobe PDF | View/Open |
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