Metal-encapsulated icosahedral superatoms of germanium and tin with large gaps: Zn@Ge12 and Cd @Sn12

Applied Physics Letters

Volumn 80, Issue 5, 2002, Pages 859-861

  Kumar, Vijay ^a   Kawazoe, Yoshiyuki ^a  

^a TOHOKU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO PSEUDOPOTENTIALS; EXCHANGE CORRELATION ENERGY; GENERALIZED GRADIENT APPROXIMATIONS; ICOSAHEDRAL SYMMETRY; MOLECULAR ORBITAL GAP; OPTICAL REGIONS; OPTOELECTRONIC MATERIALS; SILICON CLUSTERS; SUPERATOMS; TOTAL ENERGY CALCULATION;

CADMIUM; CADMIUM COMPOUNDS; CALCULATIONS; MOLECULAR ORBITALS; OPTOELECTRONIC DEVICES; TIN; ZINC;

GERMANIUM;

EID: 79956018593     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1447315     Document Type: Article

References (14)

1. V. Kumar and Y. Kawazoe, Phys. Rev. Lett. 87, 045503 (2001); prl PRLTAO 0031-9007
2. Proc. Int. Symp. on Cluster Assembled Mater. IPAP Conf. Series 3, p. 165 (2001)
3. in Reviews in Modern Quantum Chemistry: A Celebration of the Contributions of R. G. Parr, edited by K. D. Sen [World Scientific (in press)];
4. Phys. Rev. B. (in press).
5. K.-M. Ho, A. A. Shvartsburg, B. Pan, Z.-Y. Lu, C.-Z. Wang, J. G. Wacker, J. L. Fye, and M. F. Jarrold, Nature (London) 392, 582 (1998); nat NATUAS 0028-0836
6. L. Mitas, J. C. Grossman, I. Stich, and J. Tobik, Phys. Rev. Lett. 84, 1479 (2000). prl PRLTAO 0031-9007
7. A. A. Shvartsburg, M. F. Jarrold, B. Liu, Z.-Y. Lu, C.-Z. Wang, and K. M. Ho, Phys. Rev. Lett. 83, 2167 (1999). prl PRLTAO 0031-9007
8. C. Majumder, V. Kumar, H. Mizuseki, and Y. Kawazoe, Phys. Rev. B 64, 233405 (2001). It should be noted that the BE of tin clusters changes very very slowly with an increase in size. prb PRBMDO 0163-1829
9. V. Kumar, K. Esfarjani, and Y. Kawazoe, in Clusters and Nanomaterials, Springer Series in Cluster Physics, edited by Y. Kawazoe, T. Kondow, and K. Ohno (Springer Heidelberg, 2001), p. 9.
10. G. Kresse and J. Furthmuller, Phys. Rev. B 54, 11169 (1996); prb PRBMDO 0163-1829
11. Comput. Mater. Sci. 6, 15 (1996). cmt CMMSEM 0927-0256
12. D. Vanderbilt, Phys. Rev. B 41, 7892 (1990). prb PRBMDO 0163-1829
13. J. P. Perdew, in Electronic Structure of Solids '91, edited by P. Ziesche and H. Eschrig (Akademie, Berlin, 1991).
14. Y. Nigishi, H. Kawamata, F. Hayakawa, A. Nakajima, and K. Kaya, Chem. Phys. Lett. 294, 370 (1998). cph CHPLBC 0009-2614