Surface dynamics and friction of K/Cu(001) characterized by helium-3 spin-echo and density functional theory

被引：16

作者：

Hedgeland, H. ^{[1
]}

Kole, P. R. ^{[1
]}

Davies, H. R. ^{[1
]}

Jardine, A. P. ^{[1
]}

Alexandrowicz, G. ^{[4
]}

Allison, W. ^{[1
]}

Ellis, J. ^{[1
]}

Fratesi, G. ^{[2
,3
]}

Brivio, G. P. ^{[2
,3
]}

机构：

[1] Univ Cambridge, Cavendish Lab, Cambridge CB3 0HE, England

[2] Univ Milano Bicocca, ETSF, CNISM, I-20125 Milan, Italy

[3] Univ Milano Bicocca, Dipartimento Sci Mat, I-20125 Milan, Italy

[4] Technion Israel Inst Technol, Dept Chem, IL-32000 Haifa, Israel

来源：

PHYSICAL REVIEW B | 2009年 / 80卷 / 12期

基金：

英国工程与自然科学研究理事会;

关键词：

LOW-FREQUENCY VIBRATIONS; K-MONOLAYERS; METAL-SURFACES; CU(001); ADSORPTION; SCATTERING; POTASSIUM; DIFFUSION; ADSORBATES; LIQUID;

D O I：

10.1103/PhysRevB.80.125426

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Helium-3 spin-echo measurements of K/Cu(001) are presented, the diffusional surface dynamics of the system at low coverages and on picosecond time scales. Langevin molecular-dynamics simulations are used, together with a potential-energy surface derived from density functional theory calculations, to provide further understanding of the experimental data. An anisotropic potential with a corrugation of 35-64 meV and a friction parameter of 1/4.5 ps(-1) are found to give a good fit to the data for the lower coverages with the adsorbate interactions modeled with a dipole-dipole repulsion. Additionally, at the highest coverage, theta = 0.084, a component of motion is observed perpendicular to the surface, analogous to that recently found for Na/Cu(001).

引用

页数：7

共 44 条

[1] Observation of microscopic CO dynamics on Cu(001) using 3He spin-echo spectroscopy -: art. no. 156103
Alexandrowicz, G
Jardine, AP
Fouquet, P
Dworski, S
Allison, W
Ellis, J
[J]. PHYSICAL REVIEW LETTERS, 2004, 93 (15) : 156103 - 1
[2] Onset of 3D collective surface diffusion in the presence of lateral interactions: Na/Cu(001)
Alexandrowicz, G.
Jardine, A. P.
Hedgeland, H.
Allison, W.
Ellis, J.
[J]. PHYSICAL REVIEW LETTERS, 2006, 97 (15)
[3] Helium spin-echo spectroscopy: studying surface dynamics with ultra-high-energy resolution
Alexandrowicz, G.
Jardine, A. P.
[J]. JOURNAL OF PHYSICS-CONDENSED MATTER, 2007, 19 (30)
[4] VALENCE-ELECTRONIC STRUCTURE OF POTASSIUM ADSORBED ON CU(001) DEDUCED FROM WORK-FUNCTION CHANGE AND ELECTRON-ENERGY-LOSS SPECTROSCOPY
ARUGA, T
TOCHIHARA, H
MURATA, Y
[J]. PHYSICAL REVIEW B, 1986, 34 (12): : 8237 - 8245
[5] ROTATIONAL EPITAXY OF CHEMISORBED K-MONOLAYERS ON CU(001)
ARUGA, T
TOCHIHARA, H
MURATA, Y
[J]. PHYSICAL REVIEW LETTERS, 1984, 52 (20) : 1794 - 1797
[6] STRUCTURE AND TRANSITIONS OF K MONOLAYERS ON CU (001)
ARUGA, T
TOCHIHARA, H
MURATA, Y
[J]. SURFACE SCIENCE, 1985, 158 (1-3) : 490 - 496
[7] ARUGA T, 1986, SURF SCI, V175, pL725, DOI 10.1016/0039-6028(86)90223-2
[8] Dipole correction for surface supercell calculations
Bengtsson, L
[J]. PHYSICAL REVIEW B, 1999, 59 (19): : 12301 - 12304
[9] CHEMICAL TRENDS AND BONDING MECHANISMS FOR ISOLATED ADSORBATES ON AL(111)
BORMET, J
NEUGEBAUER, J
SCHEFFLER, M
[J]. PHYSICAL REVIEW B, 1994, 49 (24): : 17242 - 17252
[10] Theoretical approaches in adsorption: alkali adatom investigations
Brivio, G. P.
Butti, G.
Caravati, S.
Fratesi, G.
Trioni, M. I.
[J]. JOURNAL OF PHYSICS-CONDENSED MATTER, 2007, 19 (30)

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