Journal of Chemical Physics, Vol.102, No.2, 1044-1056, 1995
Si Adatom Binding and Diffusion on the Si(100) Surface - Comparison of Ab-Initio, Semiempirical and Empirical Potential Results
Keywords:TOTAL-ENERGY CALCULATIONS;MOLECULAR-DYNAMICS;STRUCTURAL-PROPERTIES;PHASE-TRANSITIONS;MONOHYDRIDE PHASE;SILICON CLUSTERS;MONTE-CARLO;BASIS-SETS;SI(001);ABINITIO