Understandng the structural stability of compound Mo-S clusters at sub-nanometer level

Materials Transactions

Volumn 48, Issue 4, 2007, Pages 658-661

  Murugan, P ^a   Kumar, Vijay ^a,b,c   Kawazoe, Yoshiyuki ^a   Ota, Norio ^d  

^a TOHOKU UNIVERSITY   (Japan)

^b Dr Vijay Kumar Foundation   (India)

^c INSTITUTE OF MATHEMATICAL SCIENCES   (India)

^d HITACHI MAXELL LTD   (Japan)

Author keywords

Bonding characteristics; Compound molybdenum sulfur clusters; Magnetic isomers; Structural stability

Indexed keywords

APPROXIMATION THEORY; BONDING; GRADIENT METHODS; ISOMERS; MAGNETISM;

BONDING CHARACTERISTICS; COMPOUND MOLYBDENUM SULFUR CLUSTERS; MAGNETIC ISOMERS; STRUCTURAL STABILITY;

MOLYBDENUM COMPOUNDS;

EID: 34249780804     PISSN: 13459678     EISSN: None     Source Type: Journal    
DOI: 10.2320/matertrans.48.658     Document Type: Conference Paper

References (14)

1. T. Weber, R. Prins and R. A. van Samen: Transition Metal Sulphides, Chemistry and Catalysis, NATO ASI Series - Volume 60 (Kluwer Academic Publishers, Boston, US).
2. L. Margulis, G. Salitra, R. Tenne and M. Taliankar: Nature (London) 365 (1993) 113.
3. Y. Feldman, E. Wasserman, D. J. Srolovitz and R. Tenne: Science 267 (1995) 222.
4. P. Murugan, V. Kumar. Y. Kawazoe and N. Ota: Phys. Rev. A 71 (2005) 063203.
5. P. Murugan, V. Kumar, Y. Kawazoe and N. Ota: J. Phys. Chem. A (in press).
6. N. Bertram, Y. D. Kim, G. Gantefor, Q. Sun, P. Jena, J. Tamuliene and G. Seifert: Chem. Phys. Lett. 396 (2004) 341.
7. P. Murugan, V. Kumar, Y. Kawazoe and N. Ota: Chem. Phys. Lett. 423 (2006) 202.
8. m cluster, respectively.
9. W. Zhang, X. Ran, H. Zhao and L. Wang; J. Chem. Phys. 121 (2004) 7717.
10. G. Kresse and J. Hafner: J. Phys. C 6 (1994) 8245.
11. D. Vanderbilt: Phys. Rev. B 41 (1990) 7892.
12. Vienna Ab initio Software Package (VASP) is used. More details can be found at the site http://cms.mpi.univie.ac.at/vasp/.
13. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh and C. Fiolhais: Phys. Rev. B 46 (1992) 6671.
14. H. Jiao, Y.-W. Li, B. Delmon and J.-F. Halet: J. Am. Chem. Soc. 123 (2001) 7334.