Full-potential calculations of the electronic and optical properties of 1T and 2H phases of TaS2 intercalated with lithium

Physica B: Condensed Matter

Volumn 373, Issue 1, 2006, Pages 1-7

  Reshak, Ali Hussain ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY ROORKEE   (India)

Author keywords

Electronic structure; FPLAPW; Lithium batteries; Optical properties

Indexed keywords

ELECTRONIC STRUCTURE; ENERGY GAP; LITHIUM; OPTICAL PROPERTIES; SEMICONDUCTOR MATERIALS; TANTALUM COMPOUNDS;

CONDUCTION BAND MINIMUM (CBM); FERMI ENERGY (EF); FULL POTENTIAL LINEAR AUGMENTED PLANE WAVE (FPLAPW); VALENCE BAND MAXIMUM (VBM);

LITHIUM BATTERIES;

EID: 31544438813     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2005.10.103     Document Type: Review

References (17)

1. S. Megahed, B. Scrosati, The Electrochemical Society Interface "Rechargeable Nonaqueous Batteries", vol.4(4), winter 1995, p. 34.
2. J.A. Wilson, and A.D. Yoffe Adv. Phys. 18 1969 193
3. D. Guyomard T. Osaka M. Datta New Trends in Electrochemical Technology: Energy Storage System for Electronics 2000 Gordon and Breach New York 253 chapter 9
4. H. Enamoto, H. Takai, H. Ozaki, and M.M. Lerner Phys. Cond. Matter 16 2004 6375
5. T.K. Kim, V.P. Babenko, B.N. Novgorodov, D.L. Kochubey, and Sh.K. Shaikhutdinov Nucl. Instr. and Meth. Phys. Res. A 405 1998 348
6. Y. Onuki, R. Inada, S. Tanuma, Sh. Yamanaka, and H. Kamimura J. Phys. Soc. Jpn. 51 3 1982 880
7. A.M. Chorayeb, W.Y. Liang, and A.D. Yoffe J. Phys. C 19 1986 7323
8. G.Y. Guo, and W.Y. Liang J. Phys. C 20 1987 4315
9. P. Blaha, K. Schwarz, J. Luitz, WIEN97, Vienna University of Technology, 1997 (improved and updated unix version of the original copyright WIEN Code) which was published by P. Blaha, K. Schwartz, P. Sorantin, S.B. Trickey, Comput. Phys. Commun. 59 (1990) 399.
10. Ali Hussain Reshak, and S. Auluck Physica B 358 2005 158
11. Ali Hussain Reshak, and S. Auluck Phys. Rev. B 68 2003 245113
12. S. Sharma, L. Nordstrom, and B. Johansson Phys. Rev. B 66 2002 195101
13. H.M. Myron, and A.J. Freeman Phys. Rev. B 11 1976 2735
14. Sangeeta Sharma, S. Auluck, and M.A. Khan Pramana J. Phys. 54 1999 431
15. Crystal Structures by Ralph W.G. Wyckoff, vol. 6, part 1 (1969).
16. A.R. Beal, H.P. Hughes, and W.Y. Liang J. Phys. C 8 1975 4236
17. P. Blaha J. Phys.: Condens. Matter 3 1991 9381