Chemical bondings around intercalated Li atoms in LiTiX2 (X=S, Se, and Te)

Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers

Volumn 37, Issue 12, 1998, Pages 6440-6445

  Kim, Yang Soo ^a   Koyama, Yukinori ^a   Tanaka, Isao ^a   Adachi, Hirohiko ^a  

^a KYOTO UNIVERSITY   (Japan)

Author keywords

Bond overlap population; Cluster calculation; Discrete variational X method; Li battery; Li intercalation; Net charge

Indexed keywords

CHEMICAL BONDS; COMPUTATIONAL METHODS; ELECTRONIC STRUCTURE; INTERCALATION COMPOUNDS; LITHIUM BATTERIES; VARIATIONAL TECHNIQUES;

DISCRETE VARIATIONAL METHOD; LITHIUM TITANIUM CHALCOGENIDES; MOLECULAR ORBITAL METHOD;

LITHIUM COMPOUNDS;

EID: 0032298602     PISSN: 00214922     EISSN: None     Source Type: Journal    
DOI: 10.1143/jjap.37.6440     Document Type: Article

References (17)

1. A. Wilson and A. D. Yoffe: Adv. Phys 18 (1969) 193.
2. M. S. Whiltingham: Science 192 (1976) 1126.
3. J. V. McCanny: J. Phys. C 12 (1979) 3263.
4. C. Umrigar. D. E. Ellis. D. S. Wang, H. Krakauer and M. Posternak: Phys. Rev. B 26 (1982) 4935.
5. G. Ouvrard and Z. Wu: Nucl. Inst. Meth. Phys. Res. B 133 (1997) 120.
6. W. Y. Liang: Intercalation in Layered Materials, Proc. 10th Course of the Erice Summer School, ed. M. S. Dresselhaus (Plenum Press, New York, 1986) p. 31
7. J. Rouxel: Intercalated Layered Materials, ed. F. Lévy (D. Reidel, Dordrecht, 1979) p. 201
8. T. Hibma: Intercalation Chemistry, eds. M. S. Whittingham and A. J. Jacobson (Academic Press, New York, 1982) p. 285
9. M. Stanley Whittingham and Fred R. Gamble Jr: Mater. Res. Bull. 10 (1975) 363.
10. S. N. Patel and A. A. Balchin: J. Mater. Sci. Lett. 4 (1985) 382.
11. P. Moreau, G. Ouvrard, P. Gressier, P. Ganal and J. Rouxel: J. Phys. Chem. Solids 57 (1996) 1117.
12. Y. S. Kim, M. Mizuno, I. Tanaka and H. Adachi: Mater. Trans. JIM 39 (1998) 709.
13. Y. S. Kim, M. Mizuno, I. Tanaka and H. Adachi: Jpn. J. Appl. Phys. 37 (1998) 4878.
14. R. S. Mulliken: J. Chem. Phys 23 (1955) 1833.
15. D. E. Ellis, H. Adachi and F. W. Averill: Surf. Sci 58 (1976) 496.
16. H. Adachi, M.Tsukada andC. Satoko: J.Phys. Soc. Jpn. 45 (1978) 875.
17. P. Blaha, K. Schwarz and J. Luitz: WIEN97, Vienna University of Technology 1997 improved and updated Unix version of the original copy-righted WIEN-code, which was published by P. Blaha, K. Schwarz, P. Sorantin and S. B. Trickey: Comput. Phys. Commun. 59 (1990) 399.