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  1. No Access

    Article

    Crystalline Structure Around the Single Vacancy in Silicon: Formation Volume and Stress Effects

    The crystalline structure surrounding a single neutral vacancy in silicon is investigated through extensive first-principles total-energy calculations. The results indicate the existence of two distinct distor...

    A. Antonellip, Efthimios Kaxiras, D. J. Chadi in MRS Online Proceedings Library (1998)

  2. No Access

    Article

    Crystalline Structure Around the Single Vacancy in Silicon: Formation Volume and Stress Effects

    The crystalline structure surrounding a single neutral vacancy in silicon is investigated through extensive first-principles total-energy calculations. The results indicate the existence of two distinct distor...

    A. Antonelli, Efthimios Kaxiras, D. J. Chadi in MRS Online Proceedings Library (1998)

  3. No Access

    Article

    DX centers in II-VI semiconductors and heterojunctions

    Measurements of the photoconductivity and Hall effect in Ga-doped ZnSe indicate that Ga donors form DX states in ZnSe. When the photocarriers remain in the ZnSe:Ga layer, the photoconductivity is persistent up...

    Tineke Thio, J. W. Bennett, D. J. Chadi, R. A. Linke… in Journal of Electronic Materials (1996)

  4. No Access

    Article

    Atomic structure ofDX centers: Theory

    A structural model forDX centers in Al x Ga1-x As alloys which explains their unusual properties in terms of two distinct bonding configurations for donor...

    D. J. Chadi, S. B. Zhang in Journal of Electronic Materials (1991)

  5. No Access

    Article

    Peculiar Do** Behavior of Si:Be.

    The total energies and structures of a number of Be-induced defects in Si are investigated using ab-initio local density calculations. Our primary results are: 1) The geometry of the isoelectronic center is found...

    Eugen Tarnow, S. B. Zhang, K. J. Chang, D. J. Chadi in MRS Online Proceedings Library (1990)

  6. No Access

    Article

    Theory ofDX Centers in AlxGa1-x Alloys

    A theoretical model forDX centers which explains their unusual electronic properties in terms of two distinct bonding configurations for donor impurities in AlxGa1-x As alloys is examined. The results of our ab i...

    D. J. Chadi, S. B. Zhang in MRS Online Proceedings Library (1989)

  7. No Access

    Chapter

    Transferability of Tight-Binding Matrix Elements

    The empirical tight-binding method was initially introduced by Slater and Koster1 as an interpolation scheme for band structure calculations. Hamiltonian matrix elements determined by fitting the electronic energ...

    D. J. Chadi in Atomistic Simulation of Materials (1989)