Deformation potentials and electron-phonon coupling in silicon nanowires

Nano Letters

Volumn 10, Issue 3, 2010, Pages 869-873

  Murphy Armando, F ^a   Fagas, G ^a   Greer, J C ^a  

^a UNIVERSITY COLLEGE CORK   (Ireland)

Author keywords

Deformation potentials; Electron phonon; Mobility; Relaxation time; Silicon nanowire

Indexed keywords

BREATHING MODES; CONVENTIONAL TREATMENTS; DEFORMATION POTENTIAL; ELECTRON COUPLING; ELECTRON PHONON; ELECTRON PHONON COUPLINGS; FIRST-PRINCIPLES; MOBILITY RELAXATION; REDUCED DIMENSIONALITY; SCATTERING LENGTH; SI NANOWIRE; SILICON NANOWIRES; SURFACE TERMINATION;

DEFORMATION; ELECTRONS; NANOWIRES; RELAXATION PROCESSES; WIRE;

ELECTRON-PHONON INTERACTIONS;

NANOTUBE; SILICON;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; ELECTROCHEMISTRY; ELECTROMAGNETIC FIELD; ELECTRON; METHODOLOGY; NANOTECHNOLOGY; ULTRASTRUCTURE;

COMPUTER SIMULATION; ELECTROCHEMISTRY; ELECTROMAGNETIC FIELDS; ELECTRONS; MODELS, CHEMICAL; NANOTECHNOLOGY; NANOTUBES; SILICON;

EID: 77949433953     PISSN: 15306984     EISSN: 15306992     Source Type: Journal    
DOI: 10.1021/nl9034384     Document Type: Article

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25. i = 1, 2,. . Here, confinement to phonons with bulk dispersion is applied.
26. -6 Ry/b.
27. To obtain the band shifts with strain, and hence the deformation potentials, we subtract the band eigenvalue of the unstrained cell from that of the strained cell, using two different unit cell calculations. To define a reference potential, we ensure that the average of the local potential is the same for both cells in the vacuum outside the nanowire.
28. We have performed calculations using the correct phonon dispersions for the [110] 1.15 ran wire and for the [100] 1.09 nm wire, and found the mobilities to be up to 30 % higher in both cases, when compared to using the discretized bulk phonon dispersions. The effect of the deformation potentials remains unchanged, and the comparison between the two wire orientations remains valid.
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