Optical response of small silver clusters

被引:105
作者
Yabana, K [1 ]
Bertsch, GF
机构
[1] Niigata Univ, Grad Sch Sci & Technol, Niigata 95021, Japan
[2] Univ Washington, Dept Phys, Seattle, WA 98195 USA
[3] Univ Washington, Inst Nucl Theory, Seattle, WA 98195 USA
来源
PHYSICAL REVIEW A | 1999年 / 60卷 / 05期
关键词
D O I
10.1103/PhysRevA.60.3809
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
The time-dependent local-density approximation is applied to the optical response of the silver clusters, Ag-2, Ag-3, Ag-8, and Ag-9(+). The calculation includes all the electrons beyond the closed-shell Ag11+ ionic core, thus including explicitly the filled d shell in the response. The excitation energy of the strong surface plasmon near 4 eV agrees well with experiment. The theoretical transition strength is quenched by a factor of 4 with respect to the pure s-electron sum rule in Ag-8 due to the d electrons. Also, in this system the theoretical integrated strength function is remarkably well described by the Mie theory using the bulk dielectric constant. However, the strength is somewhat less than reported experimentally. [S1050-2947(99)04511-4].
引用
收藏
页码:3809 / 3814
页数:6
相关论文
共 33 条
[11]   THE OPTICAL-ABSORPTION SPECTRA OF SMALL SILVER CLUSTERS (N = 5-11) EMBEDDED IN ARGON MATRICES [J].
HARBICH, W ;
FEDRIGO, S ;
BUTTET, J .
CHEMICAL PHYSICS LETTERS, 1992, 195 (5-6) :613-617
[12]   EFFICACIOUS FORM FOR MODEL PSEUDOPOTENTIALS [J].
KLEINMAN, L ;
BYLANDER, DM .
PHYSICAL REVIEW LETTERS, 1982, 48 (20) :1425-1428
[13]   COLLECTIVE RESONANCES IN SILVER CLUSTERS - ROLE OF D ELECTRONS AND THE POLARIZATION-FREE SURFACE-LAYER [J].
KRESIN, VV .
PHYSICAL REVIEW B, 1995, 51 (03) :1844-1899
[14]   TIME-DEPENDENT LOCAL-DENSITY THEORY OF DIELECTRIC EFFECTS IN SMALL MOLECULES [J].
LEVINE, ZH ;
SOVEN, P .
PHYSICAL REVIEW A, 1984, 29 (02) :625-635
[15]   SURFACE-PLASMON DISPERSION OF AG [J].
LIEBSCH, A .
PHYSICAL REVIEW LETTERS, 1993, 71 (01) :145-148
[16]  
PENKIN NP, 1963, OPT SPEKTROSK+, V15, P9
[17]   SELF-INTERACTION CORRECTION TO DENSITY-FUNCTIONAL APPROXIMATIONS FOR MANY-ELECTRON SYSTEMS [J].
PERDEW, JP ;
ZUNGER, A .
PHYSICAL REVIEW B, 1981, 23 (10) :5048-5079
[18]   Ab initio photoabsorption spectra and structures of small semiconductor and metal clusters [J].
Rubio, A ;
Alonso, JA ;
Blase, X ;
Balbas, LC ;
Louie, SG .
PHYSICAL REVIEW LETTERS, 1996, 77 (02) :247-250
[19]   THE OPTICAL-SPECTRUM OF MATRIX-ISOLATED AG2 [J].
SCHRITTENLACHER, W ;
ROTERMUND, HH ;
SCHROEDER, W ;
KOLB, DM .
SURFACE SCIENCE, 1985, 156 (JUN) :777-784
[20]   Core polarization in the optical response of metal clusters: Generalized time-dependent density-functional theory [J].
Serra, L ;
Rubio, A .
PHYSICAL REVIEW LETTERS, 1997, 78 (08) :1428-1431