The migration of a Si atom adsorbed on the Si(100)-2 × 1 surface

Unified Approach for Molecular Dynamics and Density-Functional Theory

Roberto Car, Michele Parrinello · Physical Review Letters · 1985 · 10.7K citations · Full text

Natural Sciences, Materials Science, Physics +15

Semiempirical, Quantum Mechanical Calculation of Hydrogen Embrittlement in Metals

Murray S. Daw, M. I. Baskes · Physical Review Letters · 1983 · 2.7K citations

Natural Sciences, Materials Engineering, Materials Science +17

Effect of Invariance Requirements on the Elastic Strain Energy of Crystals with Application to the Diamond Structure

P. N. Keating · Physical Review · 1966 · 2.4K citations

Natural Sciences, Materials Science, Physics +15

New empirical model for the structural properties of silicon

J. Tersoff · Physical Review Letters · 1986 · 1.4K citations

Natural Sciences, Chemistry, Materials Science +17

Effect of invariance requirements on the elastic strain energy of crystals with application on the diamond structure

P. N. Keating · Physical Review D · 1966 · 961 citations

Natural Sciences, Materials Engineering, Materials Science +16