Comment on "Molecular distortions and chemical bonding of a large π-conjugated molecule on a metal surface" -: art. no. 209601

被引:62
作者
Rurali, R
Lorente, N
Ordejón, P
机构
[1] Univ Toulouse 3, Lab Collis Agregats, UMR 5589, IRSAMC, F-31062 Toulouse, France
[2] CSIC, Inst Ciencia Mat Barcelona, E-08193 Barcelona, Spain
关键词
D O I
10.1103/PhysRevLett.95.209601
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
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页数:1
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[1]   Molecular distortions and chemical bonding of a large π-conjugated molecule on a metal surface -: art. no. 036106 [J].
Hauschild, A ;
Karki, K ;
Cowie, BCC ;
Rohlfing, M ;
Tautz, FS ;
Sokolowski, M .
PHYSICAL REVIEW LETTERS, 2005, 94 (03)
[2]   Schottky barrier height at an organic/metal junction:: A first-principles study of PTCDA/X (X = Al, Ag) contacts -: art. no. 195309 [J].
Picozzi, S ;
Pecchia, A ;
Gheorghe, M ;
Di Carlo, A ;
Lugli, P ;
Delley, B ;
Elstner, M .
PHYSICAL REVIEW B, 2003, 68 (19)
[3]   The SIESTA method for ab initio order-N materials simulation [J].
Soler, JM ;
Artacho, E ;
Gale, JD ;
García, A ;
Junquera, J ;
Ordejón, P ;
Sánchez-Portal, D .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2002, 14 (11) :2745-2779