Journal of Computational Electronics

, Volume 9, Issue 3, pp 160–172

Modified valence force field approach for phonon dispersion: from zinc-blende bulk to nanowires

Methodology and computational details

Authors

    • School of Electrical and Computer Engineering and Network for Computational NanotechnologyPurdue University
  • Mathieu Luisier
    • School of Electrical and Computer Engineering and Network for Computational NanotechnologyPurdue University
  • Gerhard Klimeck
    • School of Electrical and Computer Engineering and Network for Computational NanotechnologyPurdue University
Article

DOI: 10.1007/s10825-010-0332-9

Cite this article as:
Paul, A., Luisier, M. & Klimeck, G. J Comput Electron (2010) 9: 160. doi:10.1007/s10825-010-0332-9

Abstract

The correct estimation of the thermal properties of ultra-scaled CMOS and thermoelectric semiconductor devices demands for accurate phonon modeling in such structures. This work provides a detailed description of the modified valence force field (MVFF) method to obtain the phonon dispersion in zinc-blende semiconductors. The model is extended from bulk to nanowires after incorporating proper boundary conditions. The computational demands by the phonon calculation increase rapidly as the wire cross-section size increases. It is shown that nanowire phonon spectra differ considerably from the bulk dispersions. This manifests itself in the form of different physical and thermal properties in these wires. We believe that this model and approach will prove beneficial in the understanding of the lattice dynamics in the next generation ultra-scaled semiconductor devices.

Keywords

Dynamical matrixNanowirePhononsValence Force Field
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Copyright information

© Springer Science+Business Media LLC 2010