Journal
APPLIED PHYSICS LETTERS
Volume 95, Issue 6, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.3204005
Keywords
ab initio calculations; Boltzmann equation; elemental semiconductors; nanowires; Seebeck effect; semiconductor doping; semiconductor quantum wires; silicon; tight-binding calculations
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Funding
- Ministry of Education of Republic of Singapore [R-144-000-203-112]
- National University of Singapore [R-144-000-222-646]
- U.S. Air Force [R-144-000-243-597]
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By using first-principles tight-binding electronic structure calculation and Boltzmann transport equation, we investigate the size dependence of thermoelectric properties of silicon nanowires (SiNWs). With cross section area increasing, the electrical conductivity increases slowly, while the Seebeck coefficient reduces remarkably. This leads to a quick reduction of cooling power factor with diameter. Moreover, the figure of merit also decreases with transverse size. Our results demonstrate that in thermoelectric application, NW with small diameter is preferred. We also predict that isotopic doping can increase the value of ZT significantly. With 50% Si-29 doping (Si-28(0.5) Si-29(0.5) NW), the ZT can be increased by 31%.
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