메뉴 건너뛰기




Volumn 107, Issue 11, 2010, Pages

Tuning electronic and magnetic properties of endohedral Co @ B80 and exohedral Co- B80 metallofullerenes by positioning Co atom

Author keywords

[No Author keywords available]

Indexed keywords

CO-DOPED; DENSITY-FUNCTIONAL CALCULATIONS; ELECTRONIC AND MAGNETIC PROPERTIES; ENDOHEDRALS; INNER SURFACES; METALLOFULLERENES; MOLECULAR DEVICE; MOLECULAR SPINS; SPIN-POLARIZED; STABLE CONFIGURATION; STRUCTURAL CONFIGURATIONS;

EID: 77953628166     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3431522     Document Type: Article
Times cited : (10)

References (38)
  • 3
  • 6
    • 0001154314 scopus 로고
    • JPCHAX 0022-3654. 10.1021/j100166a010
    • T. Guo, C. Jin, and R. E. Smalley, J. Phys. Chem. JPCHAX 0022-3654 95, 4948 (1991). 10.1021/j100166a010
    • (1991) J. Phys. Chem. , vol.95 , pp. 4948
    • Guo, T.1    Jin, C.2    Smalley, R.E.3
  • 8
    • 0037084629 scopus 로고    scopus 로고
    • PRBMDO 0163-1829. 10.1103/PhysRevB.65.073404
    • V. Kumar and Y. Kawazoe, Phys. Rev. B PRBMDO 0163-1829 65, 073404 (2002). 10.1103/PhysRevB.65.073404
    • (2002) Phys. Rev. B , vol.65 , pp. 073404
    • Kumar, V.1    Kawazoe, Y.2
  • 9
    • 0005906680 scopus 로고    scopus 로고
    • PRLTAO 0031-9007. 10.1103/PhysRevLett.86.1733
    • H. Hiura, T. Miyazaki, and T. Kanayama, Phys. Rev. Lett. PRLTAO 0031-9007 86, 1733 (2001). 10.1103/PhysRevLett.86.1733
    • (2001) Phys. Rev. Lett. , vol.86 , pp. 1733
    • Hiura, H.1    Miyazaki, T.2    Kanayama, T.3
  • 10
    • 0000059683 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.452877
    • S. M. Beck, J. Chem. Phys. JCPSA6 0021-9606 87, 4233 (1987) 10.1063/1.452877
    • (1987) J. Chem. Phys. , vol.87 , pp. 4233
    • Beck, S.M.1
  • 11
    • 33646611950 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.456684
    • S. M. Beck, J. Chem. Phys. JCPSA6 0021-9606 90, 6306 (1989). 10.1063/1.456684
    • (1989) J. Chem. Phys. , vol.90 , pp. 6306
    • Beck, S.M.1
  • 14
    • 22944455516 scopus 로고    scopus 로고
    • Theoretical prediction of a novel inorganic fullerene-like family of silicon-carbon materials
    • DOI 10.1016/j.cplett.2005.06.055, PII S0009261405009164
    • R. X. Wang, D. J. Zhang, and C. B. Liu, Chem. Phys. Lett. CHPLBC 0009-2614 411, 333 (2005). 10.1016/j.cplett.2005.06.055 (Pubitemid 41042425)
    • (2005) Chemical Physics Letters , vol.411 , Issue.4-6 , pp. 333-338
    • Wang, R.1    Zhang, D.2    Liu, C.3
  • 16
    • 0001681794 scopus 로고    scopus 로고
    • 12
    • DOI 10.1016/S0009-2614(01)00418-3, PII S0009261401004183
    • S. Stafström, L. Hultman, and N. Hellgren, Chem. Phys. Lett. CHPLBC 0009-2614 340, 227 (2001). 10.1016/S0009-2614(01)00418-3 (Pubitemid 33628162)
    • (2001) Chemical Physics Letters , vol.340 , Issue.3-4 , pp. 227-231
    • Stafstrom, S.1    Hultman, L.2    Hellgren, N.3
  • 18
    • 33847699887 scopus 로고
    • SCAMAC 0036-8733. 10.1038/scientificamerican0766-96
    • D. B. Sullenger and C. H. L. Kennard, Sci. Am. SCAMAC 0036-8733 215, 96 (1966). 10.1038/scientificamerican0766-96
    • (1966) Sci. Am. , vol.215 , pp. 96
    • Sullenger, D.B.1    Kennard, C.H.L.2
  • 19
    • 34247377245 scopus 로고    scopus 로고
    • B80 fullerene: An ab initio prediction of geometry, stability, and electronic structure
    • DOI 10.1103/PhysRevLett.98.166804
    • N. Gonzalez Szwacki, A. Sadrzadeh, and B. I. Yakobson, Phys. Rev. Lett. PRLTAO 0031-9007 98, 166804 (2007). 10.1103/PhysRevLett.98.166804 (Pubitemid 46633678)
    • (2007) Physical Review Letters , vol.98 , Issue.16 , pp. 166804
    • Gonzalez Szwacki, N.1    Sadrzadeh, A.2    Yakobson, B.I.3
  • 20
    • 34548792831 scopus 로고    scopus 로고
    • Novel precursors for boron nanotubes: The competition of two-center and three-center bonding in boron sheets
    • DOI 10.1103/PhysRevLett.99.115501
    • H. Tang and S. Ismail-Beigi, Phys. Rev. Lett. PRLTAO 0031-9007 99, 115501 (2007). 10.1103/PhysRevLett.99.115501 (Pubitemid 47438163)
    • (2007) Physical Review Letters , vol.99 , Issue.11 , pp. 115501
    • Tang, H.1    Ismail-Beigi, S.2
  • 21
    • 37749025164 scopus 로고    scopus 로고
    • PRBMDO 0163-1829, (R). 10.1103/PhysRevB.77.041402
    • X. Yang, Y. Ding, and J. Ni, Phys. Rev. B PRBMDO 0163-1829 77, 041402 (R) (2008). 10.1103/PhysRevB.77.041402
    • (2008) Phys. Rev. B , vol.77 , pp. 041402
    • Yang, X.1    Ding, Y.2    Ni, J.3
  • 23
    • 42549098567 scopus 로고    scopus 로고
    • Stuffing improves the stability of fullerenelike boron clusters
    • DOI 10.1103/PhysRevLett.100.165504
    • D. L. V. K. Prasad and E. D. Jemmis, Phys. Rev. Lett. PRLTAO 0031-9007 100, 165504 (2008). 10.1103/PhysRevLett.100.165504 (Pubitemid 351590604)
    • (2008) Physical Review Letters , vol.100 , Issue.16 , pp. 165504
    • Prasad, D.L.V.K.1    Jemmis, E.D.2
  • 24
    • 40249089829 scopus 로고    scopus 로고
    • Boron fullerenes: A first-principles study
    • DOI 10.1007/s11671-007-9113-1
    • N. Gonzalez Szwacki, Nanoscale Res. Lett. ZZZZZZ 1931-7573 3, 49 (2008). 10.1007/s11671-007-9113-1 (Pubitemid 351334023)
    • (2008) Nanoscale Research Letters , vol.3 , Issue.2 , pp. 49-54
    • Gonzalez Szwacki, N.1
  • 25
    • 40549143059 scopus 로고    scopus 로고
    • First-principles study of crystalline bundles of single-walled boron nanotubes with small diameter
    • DOI 10.1088/0953-8984/20/12/125202, PII S0953898408606682
    • K. C. Lau, R. Orlando, and R. Pandey, J. Phys.: Condens. Matter JCOMEL 0953-8984 20, 125202 (2008). 10.1088/0953-8984/20/12/125202 (Pubitemid 351366572)
    • (2008) Journal of Physics Condensed Matter , vol.20 , Issue.12 , pp. 125202
    • Lau, K.C.1    Orlando, R.2    Pandey, R.3
  • 26
    • 45249085236 scopus 로고    scopus 로고
    • PRBMDO 0163-1829. 10.1103/PhysRevB.77.224106
    • Q. B. Yan, Q. R. Zheng, and G. Su, Phys. Rev. B PRBMDO 0163-1829 77, 224106 (2008). 10.1103/PhysRevB.77.224106
    • (2008) Phys. Rev. B , vol.77 , pp. 224106
    • Yan, Q.B.1    Zheng, Q.R.2    Su, G.3
  • 28
    • 0000730460 scopus 로고    scopus 로고
    • PRBMDO 0163-1829. 10.1103/PhysRevB.53.R10441
    • P. Ordejón, E. Artacho, and J. M. Soler, Phys. Rev. B PRBMDO 0163-1829 53, R10441 (1996). 10.1103/PhysRevB.53.R10441
    • (1996) Phys. Rev. B , vol.53 , pp. 10441
    • Ordejón, P.1    Artacho, E.2    Soler, J.M.3
  • 31
    • 33645426115 scopus 로고
    • PRBMDO 0163-1829. 10.1103/PhysRevB.43.1993
    • N. Troullier and J. L. Martins, Phys. Rev. B PRBMDO 0163-1829 43, 1993 (1991). 10.1103/PhysRevB.43.1993
    • (1991) Phys. Rev. B , vol.43 , pp. 1993
    • Troullier, N.1    Martins, J.L.2
  • 32
    • 0001550976 scopus 로고
    • PRBMDO 0163-1829. 10.1103/PhysRevB.41.907
    • D. M. Bylander and L. Kleinman, Phys. Rev. B PRBMDO 0163-1829 41, 907 (1990). 10.1103/PhysRevB.41.907
    • (1990) Phys. Rev. B , vol.41 , pp. 907
    • Bylander, D.M.1    Kleinman, L.2
  • 33
    • 4243943295 scopus 로고    scopus 로고
    • PRLTAO 0031-9007. 10.1103/PhysRevLett.77.3865
    • J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 77, 3865 (1996). 10.1103/PhysRevLett.77.3865
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 34
    • 1842816907 scopus 로고
    • PRBMDO 0163-1829. 10.1103/PhysRevB.13.5188
    • H. J. Monkhorst and J. D. Pack, Phys. Rev. B PRBMDO 0163-1829 13, 5188 (1976). 10.1103/PhysRevB.13.5188
    • (1976) Phys. Rev. B , vol.13 , pp. 5188
    • Monkhorst, H.J.1    Pack, J.D.2
  • 36
    • 33846338174 scopus 로고    scopus 로고
    • PRBMDO 0163-1829. 10.1103/PhysRevB.75.035417
    • R. J. C. Batista, M. S. C. Mazaoni, and H. Chacham, Phys. Rev. B PRBMDO 0163-1829 75, 035417 (2007). 10.1103/PhysRevB.75.035417
    • (2007) Phys. Rev. B , vol.75 , pp. 035417
    • Batista, R.J.C.1    Mazaoni, M.S.C.2    Chacham, H.3
  • 37
    • 0001314636 scopus 로고    scopus 로고
    • PRBMDO 0163-1829. 10.1103/PhysRevB.58.7443
    • D. M. Duffy and J. A. Blackman, Phys. Rev. B PRBMDO 0163-1829 58, 7443 (1998). 10.1103/PhysRevB.58.7443
    • (1998) Phys. Rev. B , vol.58 , pp. 7443
    • Duffy, D.M.1    Blackman, J.A.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.