| Автор | Mahmoud Jafari |
| Автор | Kamran Bayati |
| Автор | Atefeh Jahandoost |
| Автор | Niloofar Zarifi |
| Автор | Maryam Nobakhti |
| Автор | Hassan Jamnezhad |
| Дата выпуска | 2010-03-01 |
| dc.description | In this work first-principle calculations on hcp and bcc Ti were performed using the wien2k package which is an implementation of the full-potential augmented-plane-wave method. It has been shown in our calculations that the electronic density of states at the Fermi level increases in the phase sequence α(hcp) → β(bcc) and this behavior is unambiguously reflected in all the theoretical data as well. Furthermore, the electronic density of state N(E<sub>f</sub>), the energy of electrons for d and s-band and also the Fermi energy for both phases α and β were calculated. It was found that with an increase in pressure, the electrons of s-band will be transferred to d-band and the orbital of α- phase will be more localized than β- phase. |
| Формат | application.pdf |
| Издатель | Institute of Physics Publishing |
| Копирайт | © 2010 IOP Publishing Ltd |
| Название | Role of s and d-electrons in density of state of titanium in high pressure |
| Тип | paper |
| DOI | 10.1088/1742-6596/215/1/012108 |
| Electronic ISSN | 1742-6596 |
| Print ISSN | 1742-6588 |
| Журнал | Journal of Physics: Conference Series |
| Том | 215 |
| Первая страница | 12108 |
| Последняя страница | 12110 |
| Аффилиация | Mahmoud Jafari; Physics Department, K.N.Toosi University of Technology, PO Box: 16315-1618, Tehran, Iran |
| Аффилиация | Kamran Bayati; Physics Department, K.N.Toosi University of Technology, PO Box: 16315-1618, Tehran, Iran |
| Аффилиация | Atefeh Jahandoost; Physics Department, K.N.Toosi University of Technology, PO Box: 16315-1618, Tehran, Iran |
| Аффилиация | Niloofar Zarifi; Physics Department, K.N.Toosi University of Technology, PO Box: 16315-1618, Tehran, Iran |
| Аффилиация | Maryam Nobakhti; Physics Department, K.N.Toosi University of Technology, PO Box: 16315-1618, Tehran, Iran |
| Аффилиация | Hassan Jamnezhad; Physics Department, K.N.Toosi University of Technology, PO Box: 16315-1618, Tehran, Iran |
| Выпуск | 1 |
