An ab initio study of niobium (n 2-11) clusters: Structure, stability and magnetism

Chinese Physics B

Volumn 18, Issue 4, 2009, Pages 1491-1497

  Feng Zhu, Ren ^a   Yuan Xu, Wang ^a   Guang Biao, Zhang ^a   Shu Ke, Wei ^a   You Hua, Luo ^a  

^a HENAN UNIVERSITY   (China)

Author keywords

Density functional theory; Nbn cluster; Stability and magnetism; Structure

Indexed keywords

AB INITIO STUDY; COMPACT STRUCTURES; ELECTRONIC DENSITY; FIRST-PRINCIPLES CALCULATION; LOCAL MOMENTS; LOWEST UNOCCUPIED MOLECULAR ORBITAL; NB ATOMS; NBN CLUSTER; NIOBIUM CLUSTER; STRUCTURE;

ATOMS; MAGNETIC MOMENTS; MOLECULAR ORBITALS; NIOBIUM;

DENSITY FUNCTIONAL THEORY;

EID: 67650770389     PISSN: 16741056     EISSN: None     Source Type: Journal    
DOI: 10.1088/1674-1056/18/4/034     Document Type: Article

References (18)

1. Kumar V and Kawazoe Y 2002 Phys. Rev. B 65 125403
2. Hales D A, Lian L and Armentrout P B 1990 Int. J. Mass Spectrom. Ion Processes 102 269
3. Moro R, Yin S Y, Xu X S and de Heer Walt A 2004 Phys. Rev. Lett. 93 086803
4. Majumdar D and Balasubramaniana K 2004 J. Chem. Phys. 121 4014
5. Sakurai M, Watanabe K, Sumiyama K and Suzuki K 1999 J. Chem. Phys. 111 235
6. Wang H M, Craig R, Haouari H, Liu Y F, Lombardi J R and Lindsay D M 1996 J. Chem. Phys. 105 5355
7. Grönbeck H, Rosen A and Andreoni W 1998 Phys. Rev. A 58 4630
8. Fournier R, Pang T and Chen C F 1998 Phys. Rev. A 57 3683
9. James A M, Kowalczyk P, Fournier R and Simard B 1993 J. Chem. Phys. 99 8504
10. Goodwin L and Salahub D R 1993 Phys. Rev. A 47 R774
11. Folwler J E, Garcia A and Ugalde J M 1999 Phys. Rev. A 60 3058
12. Kietzmann H, Morenzin J, Bechthold P S, Gantefor G and Eberhardt W 1998 J. Chem. Phys. 109 2275
13. Wei F, Luo C F and Dong J M 2005 Phys. Rev. B 71 245415
14. Becke A D 1988 Phys. Rev. A 38 3098
15. Lee C, Yang W and Parr R G 1988 Phys. Rev. B 27 785
16. Hay P J and Wadt W R 1985 J. Chem. Phys. 82 270
17. Frish M J, Trucks G W, Schlegel H B et al 2003 GAUSSIAN 03 (Gaussian, Inc., Pittsburgh, PA)
18. Delley B 1990 J. Chem. Phys. 92 508