Vacancy-induced structural relaxations

Physical Review B - Condensed Matter and Materials Physics

Volumn 58, Issue 2, 1998, Pages R551-R554

  Rabe, K ^a   Citrin, P ^b  

^a Yale University   (United States)

^b LUCENT TECHNOLOGIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0142117042     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.58.R551     Document Type: Article

References (30)

1. For example, see M. S. Dresselhaus, G. Dresselhaus, and P. C. Eklund, Science of Fullerenes and Carbon Nanotubes (Academic Press, New York, 1996).
2. J. E. Fischer et. al J. Phys. Chem. Solids 56, 1445 (1995).
3. G. B. Bendele et. al Europhys. Lett. 41, 553 (1998).
4. G. Nowitzke et. al Phys. Rev. B 54, 13 230 (1996).
5. C. Pennington et. al Phys. Rev. B 54, 6853 (1996).
6. R. Lof et. al Phys. Rev. Lett. 68, 3924 (1992).
7. R. E. Walstedt et. al Nature (London) 362, 611 (1993).
8. G. Zimmer et. al Phys. Rev. B 53, 5620 (1996).
9. T. Yildirim et. al Phys. Rev. Lett. 77, 167 (1996).
10. K. Gorny et. al Phys. Rev. Lett. 79, 5118 (1997).
11. O. Gunnarsson, Z. Phys. B 104, 279 (1997).
12. E. Özdaş et. al Nature (London) 375, 126 (1995).
13. P. W. Stephens et. al Nature (London) 351, 632 (1991).
14. P. H. Citrin et. al Phys. Rev. B 56, 5213 (1997).
15. J. C. Slater, Insulators, Semiconductors, and Metals (McGraw-Hill, New York, 1967), Sec. 9-4.
16. C. E. Moore, Atomic Energy Levels—The Rare-Earth Elements, Natl. Bur. Stand. (U.S.), No. 60 (U.S. GPO, Washington, DC, 1978).
17. D. L. Lichtenberger et. al Chem. Phys. Lett. 176, 203 (1991).
18. R. M. Fleming et. al Nature (London) 352, 701 (1991).
19. The charge redistribution process here is reminiscent of the different charge states for the crystallographically inequivalent planar and chain O anions in (Formula presented) (Ref. 14). The fractional charge difference between inequivalent O anions in (Formula presented) of 0.24/1.87=13% [see N. Nücker et. al Phys. Rev. B 51, 8529 (1995)] is nearly identical to that found here between inequivalent (Formula presented) anions in (Formula presented), i.e., 0.8/5.5=15%.
20. F. Wudl, Acc. Chem. Res. 25, 157 (1992).
21. R. Taylor and R. M. Walton, Nature (London) 363, 685 (1993).
22. W. Andreoni et. al Phys. Rev. B 51, 2087 (1995).
23. A. R. Kortan et. al Phys. Rev. B 47, 13 070 (1993).
24. X. H. Chen and G. Roth, Phys. Rev. B 52, 15 534 (1995).
25. J. Cioslowski, Electronic Structure Calculations on Fullerenes and Their Derivatives (Oxford University Press, New York, 1995), Chap. 3, and references therein.
26. S. Savin et. al Phys. Rev. B 55, 14 182 (1997).
27. C. Yannouleas and U. Landman, Chem. Phys. Lett. 217, 175 (1994).
28. E. Tosatti et. al Phys. Rev. B 54, 17 184 (1996).
29. K. M. Rabe et. al Phys. Rev. B 47, 13 067 (1993).
30. D. Tomanek et. al J. Phys. Chem. Solids 54, 1679 (1993).