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Volumn 83, Issue 3, 2011, Pages

Third conformer of graphane: A first-principles density functional theory study

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EID: 79551585326     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.83.033404     Document Type: Article
Times cited : (65)

References (31)
  • 2
    • 33847690144 scopus 로고    scopus 로고
    • 1476-1122 10.1038/nmat1849
    • A. K. Geim and K. S. Novoselov, Nat. Mater. 1476-1122 10.1038/nmat1849 6, 183 (2007).
    • (2007) Nat. Mater. , vol.6 , pp. 183
    • Geim, A.K.1    Novoselov, K.S.2
  • 8
    • 34247137175 scopus 로고    scopus 로고
    • PLRBAQ 1098-0121 10.1103/PhysRevB.75.153401
    • J. O. Sofo, A. S. Chaudhari, and G. D. Barber, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.75.153401 75, 153401 (2007).
    • (2007) Phys. Rev. B , vol.75 , pp. 153401
    • Sofo, J.O.1    Chaudhari, A.S.2    Barber, G.D.3
  • 11
    • 71949111751 scopus 로고    scopus 로고
    • APPLAB 0003-6951 10.1063/1.3268792
    • H. Sahin, C. Ataca, and S. Ciraci, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.3268792 95, 222510 (2009).
    • (2009) Appl. Phys. Lett. , vol.95 , pp. 222510
    • Sahin, H.1    Ataca, C.2    Ciraci, S.3
  • 13
    • 10644250257 scopus 로고
    • PHRVAO 0031-899X 10.1103/PhysRev.136.B864
    • P. Hohenberg and W. Kohn, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.136.B864 136, B864 (1964).
    • (1964) Phys. Rev. , vol.136 , pp. 864
    • Hohenberg, P.1    Kohn, W.2
  • 14
    • 0042113153 scopus 로고
    • PHRVAO 0031-899X 10.1103/PhysRev.140.A1133
    • W. Kohn and L. Sham, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.140. A1133 140, A1133 (1965).
    • (1965) Phys. Rev. , vol.140 , pp. 1133
    • Kohn, W.1    Sham, L.2
  • 15
    • 27744460065 scopus 로고
    • PLRBAQ 0163-1829 10.1103/PhysRevB.49.14251
    • G. Kresse and J. Hafner, Phys. Rev. B PLRBAQ 0163-1829 10.1103/PhysRevB.49.14251 49, 14251 (1994);
    • (1994) Phys. Rev. B , vol.49 , pp. 14251
    • Kresse, G.1    Hafner, J.2
  • 16
    • 0030190741 scopus 로고    scopus 로고
    • CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0
    • G. Kresse and J. J. Furthmüller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996).
    • (1996) Comput. Mater. Sci. , vol.6 , pp. 15
    • Kresse, G.1    Furthmüller, J.J.2
  • 17
    • 25744460922 scopus 로고
    • PLRBAQ 0163-1829 10.1103/PhysRevB.50.17953
    • P. E. Blöchl, Phys. Rev. B PLRBAQ 0163-1829 10.1103/PhysRevB.50. 17953 50, 17953 (1994).
    • (1994) Phys. Rev. B , vol.50 , pp. 17953
    • Blöchl, P.E.1
  • 18
    • 33744691386 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.45.566
    • D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.45.566 45, 566 (1980).
    • (1980) Phys. Rev. Lett. , vol.45 , pp. 566
    • Ceperley, D.M.1    Alder, B.J.2
  • 19
    • 33645898818 scopus 로고
    • PLRBAQ 0163-1829 10.1103/PhysRevB.45.13244
    • J. P. Perdew and Y. Wang, Phys. Rev. B PLRBAQ 0163-1829 10.1103/PhysRevB.45.13244 45, 13244 (1992);
    • (1992) Phys. Rev. B , vol.45 , pp. 13244
    • Perdew, J.P.1    Wang, Y.2
  • 21
    • 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 10.1103/PhysRevLett.77.3865 77, 3865 (1996);
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 22
    • 4944232881 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.78.1396
    • J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.78.1396 78, 1396 (E) (1997).
    • (1997) Phys. Rev. Lett. , vol.78 , pp. 1396
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 23
    • 1842816907 scopus 로고
    • PLRBAQ 0556-2805 10.1103/PhysRevB.13.5188
    • H. J. Monkhorst and J. D. Pack, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.13.5188 13, 5188 (1976).
    • (1976) Phys. Rev. B , vol.13 , pp. 5188
    • Monkhorst, H.J.1    Pack, J.D.2
  • 25
    • 84986524957 scopus 로고
    • CHPLBC 0009-2614 10.1016/0009-2614(80)80396-4
    • P. Pulay, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(80)80396-4 73, 393 (1980).
    • (1980) Chem. Phys. Lett. , vol.73 , pp. 393
    • Pulay, P.1
  • 26
    • 34547809547 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.447334
    • S. Nose, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.447334 81, 511 (1984).
    • (1984) J. Chem. Phys. , vol.81 , pp. 511
    • Nose, S.1
  • 28
    • 34447260582 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.458452
    • B. Delley, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.458452 92, 508 (1990);
    • (1990) J. Chem. Phys. , vol.92 , pp. 508
    • Delley, B.1
  • 29
    • 0034319689 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1316015
    • B. Delley, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1316015 113, 7756 (2000);
    • (2000) J. Chem. Phys. , vol.113 , pp. 7756
    • Delley, B.1
  • 30
    • 79551579181 scopus 로고    scopus 로고
    • Dmol3 is available as a part of the Materials Studio Software from Accelrys
    • Dmol3 is available as a part of the Materials Studio Software from Accelrys, [http://www.accelrys.com].
  • 31
    • 0141788281 scopus 로고    scopus 로고
    • PLRBAQ 0163-1829 10.1103/PhysRevB.68.085410
    • Marcel H. F. Sluiter and Yoshiyuki Kawazoe, Phys. Rev. B PLRBAQ 0163-1829 10.1103/PhysRevB.68.085410 68, 085410 (2003).
    • (2003) Phys. Rev. B , vol.68 , pp. 085410
    • Sluiter, F.M.H.1    Kawazoe, Y.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.