Scientific Activities
Seminars
|
Seminar of Center for Computational Physics: | |
| Title | First-principles calculations for condensed matters: Diffusion of complex impurities in Si crystals, nano-effects in Si nano-clusters, and phase transitions of molecular crystal solid Oxygen |
|---|---|
| Speaker | Dr Le The Anh |
| Affiliation | Center for Computational Physics, Institute of Physics |
| Date | Tuesday, 14-05-2019 |
| Time | 10:00 AM |
| Location | Meeting room, 6th floor, 2H Building, 18 Hoang Quoc Viet, Hanoi |
| Abstract | In this talk, we discuss the practical examples of the first-principles calculations for three different structures of condensed matters under the frame work of density functional theory (DFT): crystals, nano-cluster, and molecular crystals. For the crystalline structure, we investigate the diffusion of complex impurities in Si crystals [1]. For the nano-cluster, the nano-effects and their promising applications for nano-transistors are studied [2, 3]. Finally, we report the predictions of DFT for the phase transitions of molecular crystal solid Oxygen in compression [4]. References: [1] L. T. Anh et al., J. Appl. Phys. 119, 045703 (2016). [2] L. T. Anh et al., J. Appl. Phys. 116, 063705 (2014). [3] M. Tabe et al., Appl. Phys. Lett. 108, 093502 (2016). [4] L. T. Anh et al., preprint at https://arxiv.org/abs/1803.06619 |
| Host person | Trịnh Xuân Hoàng |