Origin of tunneling lineshape trends for Kondo states of Co adatoms on coinage metal surfaces

被引：10

作者：

Sharifzadeh, Sahar ^{[1
]}

Huang, Patrick ^{[2
]}

Carter, Emily A. ^{[3
,4
]}

机构：

[1] Princeton Univ, Dept Elect Engn, Princeton, NJ 08544 USA

[2] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94551 USA

[3] Princeton Univ, Dept Mech & Aerosp Engn, Princeton, NJ 08544 USA

[4] Princeton Univ, Program Appl & Computat Math, Princeton, NJ 08544 USA

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2009年 / 21卷 / 35期

关键词：

CONFIGURATION-INTERACTION; ELECTRON CALCULATIONS; ALL-ELECTRON; ATOMS; SPECTROSCOPY; AG; SCATTERING; 3D;

D O I：

10.1088/0953-8984/21/35/355501

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Embedded correlated wavefunction (ECW) theory is used to characterize the Kondo states formed by Co atoms adsorbed on Ag(111) and Ag(100). Clusters containing the adatom are described with CW theory, while effects of the extended crystal are included via an embedding potential. The predicted Co d-electronic structure, combined with earlier predictions for Co on Cu surfaces, explains the different tunneling behavior observed with the scanning tunneling microscope (STM) for Co adsorbed on different coinage metal surfaces.

引用

页数：8

共 45 条

[1] LOCALIZED MAGNETIC STATES IN METALS [J].

ANDERSON, PW .

PHYSICAL REVIEW, 1961, 124 (01) :41-&

[2] Hybridization of impurity states with the Shockley surface band versus bulk states [J].

Barral, MA ;

Llois, AM ;

Aligia, AA .

PHYSICAL REVIEW B, 2004, 70 (03) :035416-1

[3]

Berndt R, 1999, PHYS STATUS SOLIDI B, V215, P845, DOI 10.1002/(SICI)1521-3951(199909)215:1<845::AID-PSSB845>3.0.CO

[4]

2-0

[5] PROJECTOR AUGMENTED-WAVE METHOD [J].

BLOCHL, PE .

PHYSICAL REVIEW B, 1994, 50 (24) :17953-17979

[6] EFFECTS OF CONFIGURATION INTERACTION ON INTENSITIES AND PHASE SHIFTS [J].

FANO, U .

PHYSICAL REVIEW, 1961, 124 (06) :1866-&

[7] Accurate ab initio energetics of extended systems via explicit correlation embedded in a density functional environment [J].

Govind, N ;

Wang, YA ;

da Silva, AJR ;

Carter, EA .

CHEMICAL PHYSICS LETTERS, 1998, 295 (1-2) :129-134

[8] Electronic-structure calculations by first-principles density-based embedding of explicitly correlated systems [J].

Govind, N ;

Wang, YA ;

Carter, EA .

JOURNAL OF CHEMICAL PHYSICS, 1999, 110 (16) :7677-7688

[9] ALL-ELECTRON AND VALENCE-ELECTRON CALCULATIONS ON AGH, AG-2, AND AGO [J].

HAY, PJ ;

MARTIN, RL .

JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (10) :5174-5181

[10]

HAY PJ, 1985, J CHEM PHYS, V82, P299, DOI [10.1063/1.448799, 10.1063/1.448800]

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