| Title | Anomalous optical and electronic properties of dense sodium |
| Authors | Li, Dafang Liu, Hanyu Wang, Baotian Shi, Hongliang Zhu, Shaoping Yan, Jun Zhang, Ping |
| Affiliation | Inst Appl Phys & Computat Math, LCP, Beijing 100088, Peoples R China. Jilin Univ, Natl Lab Superhard Mat, Changchun 130012, Peoples R China. Shanxi Univ, Inst Theoret Phys, Taiyuan 030006, Peoples R China. Shanxi Univ, Dept Phys, Taiyuan 030006, Peoples R China. Chinese Acad Sci, SKLSM, Inst Semicond, Beijing 100083, Peoples R China. Peking Univ, Ctr Appl Phys & Technol, Beijing 100871, Peoples R China. Inst Appl Phys & Computat Math, LCP, POB 8009, Beijing 100088, Peoples R China. |
| Keywords | Optical property First-principles method Bader analysis Dense sodium phase AUGMENTED-WAVE METHOD METALLIC SODIUM CONSTITUTION TRANSITIONS NA |
| Issue Date | 2010 |
| Publisher | physics letters a |
| Citation | PHYSICS LETTERS A.2010,374,(43),4458-4464. |
| Abstract | Based on the density functional theory, we systematically study the optical and electronic properties of the insulating dense sodium phase (Na-hp4) reported recently (Ma et al., 2009). The structure is found optically anisotropic. Through Bader analysis, we conclude that ionicity exists in the structure and becomes stronger with increasing pressure. (C) 2010 Elsevier B.V. All rights reserved. |
| URI | http://hdl.handle.net/20.500.11897/243026 |
| ISSN | 0375-9601 |
| DOI | 10.1016/j.physleta.2010.08.079 |
| Indexed | SCI(E) |
| Appears in Collections: | 工学院 |
