How can we make stable linear monoatomic chains? Gold-cesium binary subnanowires as an example of a charge-transfer-driven approach to alloying

被引:25
作者
Choi, Young Cheol
Lee, Han Myoung
Kim, Woo Youn
Kwon, S. K.
Nautiyal, Tashi
Cheng, Da-Yong
Vishwanathan, K.
Kim, Kwang S.
机构
[1] Pohang Univ Sci & Technol, Dept Chem, Ctr Superfunct Mat, Pohang 790784, South Korea
[2] Pohang Univ Sci & Technol, Dept Phys, Pohang 790784, South Korea
[3] Indian Inst Technol, Dept Phys, Roorkee 247667, Uttar Pradesh, India
关键词
D O I
10.1103/PhysRevLett.98.076101
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
On the basis of first-principles calculations of clusters and one dimensional infinitely long subnanowires of the binary systems, we find that alkali-noble metal alloy wires show better linearity and stability than either pure alkali metal or noble metal wires. The enhanced alternating charge buildup on atoms by charge transfer helps the atoms line up straight. The cesium doped gold wires showing significant charge transfer from cesium to gold can be stabilized as linear or circular monoatomic chains.
引用
收藏
页数:4
相关论文
共 49 条
[1]   CHARGE-TRANSFER AND PERCOLATION IN ALKALI-METAL ALLOYS [J].
AVCI, R ;
FLYNN, CP .
PHYSICAL REVIEW B, 1979, 19 (12) :5967-5980
[2]   Chain formation of metal atoms [J].
Bahn, SR ;
Jacobsen, KW .
PHYSICAL REVIEW LETTERS, 2001, 87 (26) :266101-1
[3]   Cluster-derived structures and conductance fluctuations in nanowires [J].
Barnett, RN ;
Landman, U .
NATURE, 1997, 387 (6635) :788-791
[4]   Magic structures and quantum conductance of [110] silver nanowires [J].
Cheng, D ;
Kim, WY ;
Min, SK ;
Nautiyal, T ;
Kim, KS .
PHYSICAL REVIEW LETTERS, 2006, 96 (09)
[5]   ELECTRONIC-STRUCTURE OF CSAU [J].
CHRISTENSEN, NE ;
KOLLAR, J .
SOLID STATE COMMUNICATIONS, 1983, 46 (09) :727-730
[6]   MISSING-ROW SURFACE RECONSTRUCTION OF AG(110) INDUCED BY POTASSIUM ADSORPTION [J].
FRENKEN, JWM ;
KRANS, RL ;
VANDERVEEN, JF ;
HOLUBKRAPPE, E ;
HORN, K .
PHYSICAL REVIEW LETTERS, 1987, 59 (20) :2307-2310
[7]  
FRISCH M, GAUSSIAN 03 SUITE PR
[8]   EXTERNAL-CHARGE-INDUCED SURFACE RECONSTRUCTION ON AG(110) [J].
FU, CL ;
HO, KM .
PHYSICAL REVIEW LETTERS, 1989, 63 (15) :1617-1620
[9]   Linear monatomic wires stabilized by alloying:: Ab initio density functional calculations -: art. no. 233403 [J].
Geng, WT ;
Kim, KS .
PHYSICAL REVIEW B, 2003, 67 (23)
[10]   Gold nanowires and their chemical modifications [J].
Häkkinen, H ;
Barnett, RN ;
Landman, U .
JOURNAL OF PHYSICAL CHEMISTRY B, 1999, 103 (42) :8814-8816