研究目的
Investigating the effect of electron-phonon scattering on the thermal conductivity of B- and P-doped Si nanowires.
研究成果
Electron-phonon scattering significantly reduces the thermal conductivity in the low-temperature range. Incomplete ionization can significantly impact the free carrier concentration around the Mott density. The effect has been treated with a model derived for bulk, but a self-energy correction as function of the electronic radius was added.
研究不足
The simplistic treatment of the change in the ionization energy does not reflect the actual static screening of the Yukawa potential of the randomly distributed dopants in the nanowire dielectric system.
1：Experimental Design and Method Selection:
The thermal conductivity is modeled with phonon band structure calculated from first principles, including electron-phonon scattering for the first time.
2：Sample Selection and Data Sources:
B- and P-doped Si nanowires with a diameter of 31?nm are used.
3：List of Experimental Equipment and Materials:
Vienna ab initio simulation package (VASP) for first-principles calculations.
4：Experimental Procedures and Operational Workflow:
Phonon bands were computed by employing the Hessian matrix derived from density functional perturbation theory.
5：Data Analysis Methods:
The thermal conductivity is computed by adding up the inverse phonon lifetimes from different scattering processes according to Matthiessen’s rule.
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