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Ab initio total energy methods in semiconductor physics

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Festkörperprobleme 25

Part of the book series: Advances in Solid State Physics ((ASSP,volume 25))

Abstract

Theoretical methods have reached a stage where many properties of solids can be calculated accurately with no parameters. The essence of this work is the Hohenberg-Kohn-Sham density functional theory of the ground-state electronic exchange-correlation energy and the remarkable validity of the local density approximation (LDF). Recent developments have provided new capabilities, such as direct calculations of stress in a quantum system. A theme of the present talk is that there is emerging a unified approach to understanding the structures of solids, elastic constants, phonons, dielectric constants, and many other properties. Recent work on semiconductors includes new results for phase transitions under pressure, reconstructions of surfaces, and electronic bonds at interfaces.

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  1. Xerox Palo Alto Research Center, 3333 Coyote Hill Road, 94304, Palo Alto, CA, USA

    Richard M. Martin

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P. Grosse

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© 1985 Friedr. Vieweg & Sohn Verlagsgesellschaft mbH

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Martin, R.M. (1985). Ab initio total energy methods in semiconductor physics. In: Grosse, P. (eds) Festkörperprobleme 25. Advances in Solid State Physics, vol 25. Springer, Berlin, Heidelberg. https://doi.org/10.1007/BFb0108121

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  • DOI: https://doi.org/10.1007/BFb0108121

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  • Print ISBN: 978-3-528-08031-0

  • Online ISBN: 978-3-540-75361-2

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