Elimination of spurious solutions from k·p theory with Fourier transform technique and Burt-Foreman operator ordering

Qiuji Zhao, Ting Mei, Dao Hua Zhang
2012 Journal of Applied Physics  
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more » ... oration in phase formation and band gap tuning of tungsten oxide thin films To eliminate spurious solutions in the multiple-band kÁp theory, we developed the Fourier transform-based kÁp approach through combining the Fourier transform technique with Burt-Foreman operator ordering. The performance is perfect for the six-band kÁp calculation, and the spurious solutions in the conduction band met in the eight-band calculation can also be easily screened away in the inborn cut-off step in FTM, i.e., choosing a proper order of Fourier truncation. Truncating high-order terms of Fourier coefficients of the envelope function prevents the occurrence of a wild-spreading spectrum of the Fourier expansion coefficients, which can be taken as the signature of spurious solutions. V C 2012 American Institute of Physics.
doi:10.1063/1.3689821 fatcat:3e4oae2l65ax5eowqntmuzodnu