Electronic and transport properties of artificial gold chains

被引:51
作者
Calzolari, A [1 ]
Cavazzoni, C
Nardelli, MB
机构
[1] INFM, Natl Res Ctr Nanostruct & Biosyst Surfaces, I-41100 Modena, Italy
[2] N Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA
[3] CINECA, I-40033 Bologna, Italy
[4] Oak Ridge Natl Lab, CSM, CCS, Oak Ridge, TN 37831 USA
关键词
D O I
10.1103/PhysRevLett.93.096404
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We study the electronic and transport properties of artificial Au atomic chains on a NiAl(110) surface template using state-of-the-art first principles calculations. Au chains display remarkable one-dimensional electronic properties that can be tuned by the selective adsorption of small molecules: a single CO group is shown to modulate the electronic wave functions, acting as a "chemical scissor" along the chain, to strongly modify the coherent transport properties of the system, and to help design one-dimensional nanodevices through artificial profiling of energy barriers.
引用
收藏
页码:096404 / 1
页数:4
相关论文
共 19 条
[1]   Chain formation of metal atoms [J].
Bahn, SR ;
Jacobsen, KW .
PHYSICAL REVIEW LETTERS, 2001, 87 (26) :266101-1
[2]   Ab initio transport properties of nanostructures from maximally localized Wannier functions -: art. no. 035108 [J].
Calzolari, A ;
Marzari, N ;
Souza, I ;
Nardelli, MB .
PHYSICAL REVIEW B, 2004, 69 (03)
[3]  
CALZOLARI A, WANT CODE
[4]  
Cotton F., 1999, ADV INORGANIC CHEM
[5]   Fractional band filling in an atomic chain structure [J].
Crain, JN ;
Kirakosian, A ;
Altmann, KN ;
Bromberger, C ;
Erwin, SC ;
McChesney, JL ;
Lin, JL ;
Himpsel, FJ .
PHYSICAL REVIEW LETTERS, 2003, 90 (17) :4-176805
[6]   Self-doping of gold chains on silicon: A new structural model for Si(111)-(5x2)-Au [J].
Erwin, SC .
PHYSICAL REVIEW LETTERS, 2003, 91 (20)
[7]   Origin of anomalously long interatomic distances in suspended gold chains [J].
Legoas, SB ;
Galvao, DS ;
Rodrigues, V ;
Ugarte, D .
PHYSICAL REVIEW LETTERS, 2002, 88 (07) :4-761054
[8]   SURFACE-STATES ON NIAL(110) [J].
LUI, SC ;
KANG, MH ;
MELE, EJ ;
PLUMMER, EW ;
ZEHNER, DM .
PHYSICAL REVIEW B, 1989, 39 (18) :13149-13159
[9]   Maximally localized generalized Wannier functions for composite energy bands [J].
Marzari, N ;
Vanderbilt, D .
PHYSICAL REVIEW B, 1997, 56 (20) :12847-12865
[10]   Visualization and spectroscopy of a metal-molecule-metal bridge [J].
Nazin, GV ;
Qiu, XH ;
Ho, W .
SCIENCE, 2003, 302 (5642) :77-81