TY - JOUR
T1 - Impact of impurities on the thermal conductivity of semiconductor nanostructures
T2 - First-principles theory
AU - Gibbons, T. M.
AU - Estreicher, S. K.
N1 - Copyright:
Copyright 2009 Elsevier B.V., All rights reserved.
PY - 2009/6/25
Y1 - 2009/6/25
N2 - The thermal conductivity κ(T) of Si nanostructures containing impurities is calculated from first-principles using nonequilibrium molecular dynamics simulations in thermally "prepared" periodic supercells. For a given concentration of impurities, κ exhibits strongly nonlinear variations with the mass of the impurity. There is a narrow range of conditions for which κ is substantially reduced relative to that of the pure material. This suggests that the κ of nanowire could be controlled with impurities and that nanoregions with a desired κ could be implanted on chips.
AB - The thermal conductivity κ(T) of Si nanostructures containing impurities is calculated from first-principles using nonequilibrium molecular dynamics simulations in thermally "prepared" periodic supercells. For a given concentration of impurities, κ exhibits strongly nonlinear variations with the mass of the impurity. There is a narrow range of conditions for which κ is substantially reduced relative to that of the pure material. This suggests that the κ of nanowire could be controlled with impurities and that nanoregions with a desired κ could be implanted on chips.
UR - http://www.scopus.com/inward/record.url?scp=67649425361&partnerID=8YFLogxK
U2 - 10.1103/PhysRevLett.102.255502
DO - 10.1103/PhysRevLett.102.255502
M3 - Article
AN - SCOPUS:67649425361
VL - 102
JO - Physical Review Letters
JF - Physical Review Letters
SN - 0031-9007
IS - 25
M1 - 255502
ER -