Valence band effective-mass expressions in the sp3d5s* empirical tight-binding model applied to a Si and Ge parametrization

Timothy B. Boykin, Gerhard Klimeck, and Fabiano Oyafuso
Phys. Rev. B 69, 115201 – Published 8 March 2004
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Abstract

Exact, analytic expressions for the valence band effective masses in the spin-orbit, sp3d5s* empirical tight-binding model are derived. These expressions together with an automated fitting algorithm are used to produce improved parameter sets for Si and Ge at room temperature. Detailed examinations of the analytic effective-mass expressions reveal critical capabilities and limitations of this model in reproducing simultaneously certain gaps and effective masses. The [110] masses are shown to be completely determined by the [100] and [111] masses despite the introduction of d orbitals into the basis.

  • Received 17 September 2003

DOI:https://doi.org/10.1103/PhysRevB.69.115201

©2004 American Physical Society

Authors & Affiliations

Timothy B. Boykin

  • Department of Electrical and Computer Engineering, The University of Alabama in Huntsville, Huntsville, Alabama 35899, USA

Gerhard Klimeck* and Fabiano Oyafuso

  • Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Road, MS 169-315, Pasadena, California 91109, USA

  • *Present address: School of Electrical & Computer Engineering, Purdue University, West Lafayette, Indiana 47907.

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Vol. 69, Iss. 11 — 15 March 2004

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