Open AccessLATTICE VIBRATIONS AND FORCE CONSTANTS OF Cu(100), (111), (110) SURFACES
Author(s) -
罗宁胜,
徐文兰
Publication year - 1989
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.38.349
Subject(s) - force constant , embedded atom model , lattice constant , materials science , atomic physics , vibration , atom (system on chip) , work (physics) , interatomic potential , molecular physics , surface (topology) , ground state , lattice (music) , electron , physics , molecular dynamics , molecule , thermodynamics , quantum mechanics , geometry , mathematics , computer science , diffraction , acoustics , embedded system
We had obtained the semiempirical functions for describing the interaction properties in the ground state of Cu by using the Embedded Atom Method (EAM). In this work, The formula of surface Yorce constants between planes are derived, the force constants between planes of Cu (100), (111) and (110) surfaces are then calculated, which show that the EAM can distinguish the difference of interatomic interactions in the bulk and near the surface, and distinguish the difference of interatomic interactions near different structural surfaces. The calculated force constants lead to good agreement between the projected state densities of surface vibrations calculated by Recursion Method and the experimental results of electron-energy-loss-spectroscopy.