Corrugating and anticorrugating static interactions in helium-atom scattering from metal surfaces

被引:33
作者
Jean, N
Trioni, MI
Brivio, GP
Bortolani, V
机构
[1] UdR Milano Bicocca, Ist Nazl Fis Mat, I-20125 Milan, Italy
[2] Univ Milano Bicocca, Dipartimento Sci Mat, I-20125 Milan, Italy
[3] Univ Modena & Reggio Emilia, INFM S3, I-41100 Modena, Italy
[4] Univ Modena & Reggio Emilia, Dipartimento Fis, I-41100 Modena, Italy
关键词
D O I
10.1103/PhysRevLett.92.013201
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We perform a density-functional-theory calculation of the static repulsive potential of He scattering off a noble and a simple metal surface. The classical turning point of He on Cu(111) is found to be closer to the metal when the adatom is at top than at bridge site (anticorrugating effect). The potential of He on Al(111) is instead corrugated. By comparing the results of the two systems, we conclude that the He-metal anticorrugating effect occurs when the kinetic energy difference for He at top and bridge sites is larger than the electrostatic one, and an induced localized dipole on He is formed.
引用
收藏
页数:4
相关论文
共 20 条
[1]   The adiabatic molecule-metal surface interaction: Theoretical approaches [J].
Brivio, GP ;
Trioni, MI .
REVIEWS OF MODERN PHYSICS, 1999, 71 (01) :231-265
[2]   Adsorption of Xe atoms on metal surfaces: New insights from first-principles calculations [J].
Da Silva, JLF ;
Stampfl, C ;
Scheffler, M .
PHYSICAL REVIEW LETTERS, 2003, 90 (06) :4
[3]   Density-functional perturbation theory with ultrasoft pseudopotentials [J].
Dal Corso, A .
PHYSICAL REVIEW B, 2001, 64 (23)
[4]   DEPENDENCE OF THE HE-SCATTERING POTENTIAL AT SURFACES ON THE SURFACE-ELECTRON-DENSITY PROFILE [J].
ESBJERG, N ;
NORSKOV, JK .
PHYSICAL REVIEW LETTERS, 1980, 45 (10) :807-810
[5]   SELF-CONSISTENT ELECTRONIC-STRUCTURE OF 6-LAYER AND 18-LAYER CU(111) FILMS [J].
EUCEDA, A ;
BYLANDER, DM ;
KLEINMAN, L .
PHYSICAL REVIEW B, 1983, 28 (02) :528-534
[6]   Atomic beam diffraction from solid surfaces [J].
Farías, D ;
Rieder, KH .
REPORTS ON PROGRESS IN PHYSICS, 1998, 61 (12) :1575-1664
[7]   COMPARISON OF SEMIEMPIRICAL AND ABINITIO PSEUDOPOTENTIAL CALCULATIONS OF THE LATTICE-DYNAMICS OF ALUMINUM SURFACES WITH HE-ATOM-SCATTERING TIME-OF-FLIGHT SPECTRA [J].
FRANCHINI, A ;
BORTOLANI, V ;
SANTORO, G ;
CELLI, V ;
EGUILUZ, AG ;
GASPAR, JA ;
GESTER, M ;
LOCK, A ;
TOENNIES, JP .
PHYSICAL REVIEW B, 1993, 47 (08) :4691-4704
[8]   Single- and multiphonon atom-surface scattering in the quantum regime [J].
Gumhalter, B .
PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS, 2001, 351 (1-2) :1-159
[9]   HELIUM TIME-OF-FLIGHT SPECTROSCOPY OF SURFACE-PHONON DISPERSION-CURVES OF THE NOBLE-METALS [J].
HARTEN, U ;
TOENNIES, JP ;
WOLL, C .
FARADAY DISCUSSIONS, 1985, 80 :137-149
[10]   NATURE OF SURFACE-PHONON ANOMALIES IN NOBLE-METALS [J].
JAYANTHI, CS ;
BILZ, H ;
KRESS, W ;
BENEDEK, G .
PHYSICAL REVIEW LETTERS, 1987, 59 (07) :795-798