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  1. No Access

    Chapter and Conference Paper

    DEFECT-RELATED ISSUES IN HIGH-K DIELECTRICS

    The roles of impurities and point defects are again coming to the forefront as new materials, such as high-k dielectrics, and novel device structures (e.g., double gate MOSFETs) are introduced in new generatio...

    SOKRATES T. PANTELIDES, M.H. EVANS… in Defects in High-k Gate Dielectric Stacks (2006)

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    Chapter and Conference Paper

    An introduction to photonic crystals

    J. D. Joannopoulos in Confined Photon Systems (1999)

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    Chapter and Conference Paper

    Ab-Initio Investigations of Surfaces and Grain Boundaries in Germanium

    This paper describes the application of ab-initio total energy pseudopotential calculations to investigate surfaces and grain boundaries in germanium. Parameters have been calculated for an effective Hamiltoni...

    M. C. Payne, G. P. Francis, M. Needels, E. Tarnow… in Ordering at Surfaces and Interfaces (1992)

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    Chapter and Conference Paper

    Intergranular Total Energy Maps and the Structure of a Grain Boundary

    An ab initio theoretical investigation of the structure of a twist grain boundary in Ge is performed whereby the intergranular total energy is mapped out over the entire range of possible relative in-plane tra...

    E. Tarnow, P. Bristowe, J. D. Joannopoulos, M. Payne in Polycrystalline Semiconductors (1989)

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    Chapter and Conference Paper

    A Total Energy-Renormalization Group Approach to the Phase Transition of Solid Surfaces

    The tight-binding energy minimization method is combined with a renormalization-group calculation to study the structural phase transition of the Si(100) surface. The ground-state reconstruction is found to be...

    J. Ihm, D. H. Lee, J. D. Joannopoulos… in Proceedings of the 17th International Conf… (1985)

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    Chapter and Conference Paper

    Intrinsic Defects in Silicon: Formation and Migration Energies

    Total energy calculations have been performed yielding formation and migration energies of silicon self-interstitials and vacancies with and accuracy of a few tenths of an electron volt. Direct comparison with...

    Y. Bar-Yam, J. D. Joannopoulos in Proceedings of the 17th International Conf… (1985)

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    Chapter and Conference Paper

    The Electronic Structure of Crystalline Phases of Se and Te

    A theoretical study of the electronic structure of crystalline phases of Se and Te is presented in four parts. The first part deals with a review of theoretical techniques and results in the study of trigonal ...

    J. D. Joannopoulos in The Physics of Selenium and Tellurium (1979)

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    Chapter and Conference Paper

    Bonding Coordination Defects in Selenium

    A great variety of experimental phenomena have been attributed to under- or over-coordinated sites in chalcogenide glasses. The electronic structure of these bonding coordination defects has proven to be an in...

    David Vanderbilt, J. D. Joannopoulos in The Physics of Selenium and Tellurium (1979)

  9. No Access

    Chapter and Conference Paper

    Electronic Densities of States of Amorphous and Trigonal Se and Te

    We have used the Empirical Pseudopotential Method to obtain electronic densities of states and charge distributions for the valence electrons in trigonal Se and Te. We have explored the relation between densit...

    J. D. Joannopoulos, M. Schlüter… in Proceedings of the Twelfth International C… (1974)