Very low energy surface of silicon.
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Biomedical subjects
MC Payne
Publications and source records attributed to MC Payne.
Large-scale ab initio study of the binding and diffusion of a Ge adatom on the Si(100) surface.
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Ground-state properties of CoSi2 determined by a total-energy pseudopotential method.
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Robertson, Heine, and Payne reply.
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Surface dissociation from first principles: Dynamics and chemistry.
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Theoretical study of high-density phases of covalent semiconductors. I. Ab initio treatment.
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Point-defect-induced crystal growth: An ab initio study.
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Dynamics of dissociative chemisorption: Cl2/Si(111)-(2 x 1).
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Crystals from metallic clusters: A first-principles calculation.
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Free energy and entropy of diffusion by ab initio molecular dynamics: Alkali ions in silicon.
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Cohesion in aluminum systems: A first-principles assessment of "glue" schemes.
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Microscopic theory of periodic conductance resonances in narrow channels.
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Optimized and transferable nonlocal separable ab initio pseudopotentials.
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First principles calculation of the structure and energy of Si(113).
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Defect energetics in MgO treated by first-principles methods.
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Atomic and electronic structures of the 90 degrees partial dislocation in silicon.
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Ab initio molecular dynamics: Analytically continued energy functionals and insights into iterative solutions.
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