TY - JOUR
T1 - First-principles calculations of vibrational lifetimes and decay channels
T2 - Hydrogen-related modes in Si
AU - West, D.
AU - Estreicher, S. K.
N1 - Copyright:
Copyright 2012 Elsevier B.V., All rights reserved.
PY - 2006
Y1 - 2006
N2 - The vibrational lifetimes and decay channels of local vibrational modes are calculated from first principles at various temperatures. Our method can be used to predict the temperature dependence of the lifetime of any normal mode in any crystal. We focus here on the stretch modes of H2*, HBC+, and VH•HV in Si. The frequencies are almost identical, but the lifetimes vary from 4 to 295 ps. The calculations correctly predict the lifetimes for T>50K and illustrate the critical importance of pseudolocal modes in the decay processes of high-frequency local vibrational modes.
AB - The vibrational lifetimes and decay channels of local vibrational modes are calculated from first principles at various temperatures. Our method can be used to predict the temperature dependence of the lifetime of any normal mode in any crystal. We focus here on the stretch modes of H2*, HBC+, and VH•HV in Si. The frequencies are almost identical, but the lifetimes vary from 4 to 295 ps. The calculations correctly predict the lifetimes for T>50K and illustrate the critical importance of pseudolocal modes in the decay processes of high-frequency local vibrational modes.
UR - http://www.scopus.com/inward/record.url?scp=33645223673&partnerID=8YFLogxK
U2 - 10.1103/PhysRevLett.96.115504
DO - 10.1103/PhysRevLett.96.115504
M3 - Article
AN - SCOPUS:33645223673
VL - 96
JO - Physical Review Letters
JF - Physical Review Letters
SN - 0031-9007
IS - 11
M1 - 115504
ER -