Energy and angular momentum transfer in the excitation of electron-hole pairs by slow dimers

被引:31
作者
Muiño, RD [1 ]
Salin, A
机构
[1] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA
[2] Univ Bordeaux 1, CNRS, UMR 5803, Lab Physicochim Mol, F-33405 Talence, France
来源
PHYSICAL REVIEW B | 2000年 / 62卷 / 08期
关键词
D O I
10.1103/PhysRevB.62.5207
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We calculate the transfer of energy and angular momentum through electron-hole pair excitations for a slow dimer in an electron gas. We show that the Kohn-Sham procedure can be used under the adiabatic conditions that prevail in the shifted Fermi sphere approximation. We obtain the low-energy limit of the friction coefficient and average angular momentum transfer from a self-consistent calculation for the embedded dimer. We apply our theory to H-2 and LiH molecules. We use our results to evaluate the role of electron-hole pair excitations when a molecule approaches a metal surface.
引用
收藏
页码:5207 / 5215
页数:9
相关论文
共 27 条
[11]   MOLECULAR-DYNAMICS WITH ELECTRONIC FRICTIONS [J].
HEADGORDON, M ;
TULLY, JC .
JOURNAL OF CHEMICAL PHYSICS, 1995, 103 (23) :10137-10145
[12]   ELECTRONIC DAMPING OF ATOMIC AND MOLECULAR VIBRATIONS AT METAL-SURFACES [J].
HELLSING, B ;
PERSSON, M .
PHYSICA SCRIPTA, 1984, 29 (04) :360-371
[13]   Electron-hole pair contributions to scattering, sticking, and surface diffusion: CO on Cu(100) [J].
Kindt, JT ;
Tully, JC ;
Head-Gordon, M ;
Gomez, MA .
JOURNAL OF CHEMICAL PHYSICS, 1998, 109 (09) :3629-3636
[14]   THEORY OF METAL SURFACES - CHARGE DENSITY AND SURFACE ENERGY [J].
LANG, ND ;
KOHN, W .
PHYSICAL REVIEW B, 1970, 1 (12) :4555-&
[15]  
MESSIAH A, 1962, MECANIQUE QUANTIQUE, V2, P692
[16]   A CRITICAL-EXAMINATION OF DATA ON THE DISSOCIATIVE ADSORPTION AND ASSOCIATIVE DESORPTION OF HYDROGEN AT COPPER SURFACES [J].
MICHELSEN, HA ;
AUERBACH, DJ .
JOURNAL OF CHEMICAL PHYSICS, 1991, 94 (11) :7502-7520
[17]  
MOTT NF, 1965, THEORY ATOMIC COLLIS, pCHR8
[18]   Self-consistent screening of diatomic molecules in an electron gas [J].
Muiño, RD ;
Salin, A .
PHYSICAL REVIEW B, 1999, 60 (03) :2074-2083
[19]   VICINAGE EFFECT IN SLOW-ION-DICLUSTER STOPPING POWER [J].
NAGY, I ;
ARNAU, A ;
ECHENIQUE, PM .
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS, 1990, 48 (1-4) :54-57
[20]   Direct detection of electron-hole pairs generated by chemical reactions on metal surfaces [J].
Nienhaus, H ;
Bergh, HS ;
Gergen, B ;
Majumdar, A ;
Weinberg, WH ;
McFarland, EW .
SURFACE SCIENCE, 2000, 445 (2-3) :335-342