simplex algorithm for band structure calculation of noncubic symmetry semiconductors application to iii-nitride binaries and alloys单纯形算法iii-nitride noncubic对称半导体能带结构计算应用程序二进制文件和合金.pdfVIP

VLSI DESIGN (C) 2001 OPA (Overseas Publishers Association) N.V. 2001, Vol. 13, Nos. 1-4, pp. 63-68 Published by license under Reprints available directly from the publisher the Gordon and Breach Science Publishers imprint, Photocopying permitted by license only member of the Taylor Francis Group. Simplex Algorithm for Band Structure Calculation of Noncubic Symmetry Semiconductors: Application to III-nitride Binaries and Alloys ENRICO a, a, GHILLINO CARLO GARETTO MICHELE GOANOa’*, GIOVANNI GHIONEa, ENRICO BELLOTTIb and KEVIN F. BRENNANb aDipartimento di Elettronica, Politecnico di Torino, corso Duca degli Abruzzi 24, 1-10129 Torino, Italy; bMicroelectronics Research Center, Georgia Institute of Technology, 791 Atlantic Drive NW, Atlanta, GA 30332-0269, USA A set of software tools for the determination of the band structure of zinc-blende, wurtzite, 4H, and 6H semiconductors is presented. A state of the art implementation of the nonlocal empirical pseudopotential method has been coupled with a robust simplex algorithm for the optimization of the adjustable parameters of the model potentials. This computational core has been integrated with an array of Matlab functions, pro- viding interactive functionalities for defining the initial guess of the atomic pseudo- potentials, checking the convergence of the optimization process, plotting th