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Phys. Rev. B 65, 125302 (2002) [12 pages]

General boundary conditions for the envelope function in the multiband k⋅p model

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A. V. Rodina*
I. Physics Institute, Justus Liebig University of Giessen, D-35392 Giessen, Germany

A. Yu. Alekseev
Institute of Theoretical Physics, Uppsala University, S-75108, Uppsala, Sweden
Department of Mathematics, University of Geneva, 1211 Geneva, Switzerland

Al. L. Efros and M. Rosen
Naval Research Laboratory, Washington, D.C. 20375

B. K. Meyer
I. Physics Institute, Justus Liebig University of Giessen, D-35392 Giessen, Germany

Received 25 July 2001; revised 18 October 2001; published 13 February 2002

We have derived general boundary conditions (BC’s) for the multiband envelope functions (which do not contain spurious solutions) in semiconductor heterostructures with abrupt heterointerfaces. These BC require the conservation of the probability flux density normal to the interface and guarantee that the multiband Hamiltonian be self-adjoint. The BC are energy independent and are characteristic properties of the interface. Calculations have been performed of the effect of the general BC on the electron energy levels in a potential well with infinite potential barriers using a coupled two band model. The connection with other approaches to determining BC for the envelope function and to the spurious solution problem in the multiband k⋅p model are discussed.

© 2002 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.65.125302
DOI:
10.1103/PhysRevB.65.125302
PACS:
73.21.-b, 73.20.-r, 02.30.Nw

*On leave from the A. F. Ioffe Physico-Technical Institute, 194021, St.-Petersburg, Russia.