Review Article

Prediction of Spectral Phonon Mean Free Path and Thermal Conductivity with Applications to Thermoelectrics and Thermal Management: A Review

Table 2

Applications of the numerical methods in predicting spectral phonon properties and thermal conductivity.

Materials Methods* FP Reference Year

Ar 1 and 3 [66] 1986
Ar 2 [46] 1995
Ar and Kr 2 [45] 1996
Ar 3 [67] 2004
Ar 1 and 3 [102] 2009
Ar, Si thin films 1 [92] 2010
C, Si, and Ge 1 [43] 1995
C, isotope-doped C, Si, and Ge 1 and 2 [51] 2009
C (Pure and natural) (extreme pressure) 1 and 2 [62] 2012
C nanowire 1 and 2 [64] 2012
Si (isotope-doped) 1 [136] 1999
Si (isotope-doped) 1 [91] 2001
SiC 2 [48] 2002
Si and Ge 1 [44] 2003
Si 1 and 2 [60] 2005
Si and Ge 2 [61] 2007
Si 3 [143] 2008
Si (isotope-doped) 2 [47] 2009
Si 1 [107] 2011
Si 1 [99] 2012
Si Nanowire 3 [153] 2009
Si, Ge 1 [110] 2010
Si/Ge, SLs 1 and 2 [59] 2004
Si/Ge SLs 1 [108] 2011
Si/Ge SLs 1 [101] 2013
Si/Ge SLs 1 [103] 2013
SiGe alloys with embedded nanoparticles 2 [65] 2011
SiGe alloys 1 [109] 2011
Si, Ge, and Si0.5Ge0.5 1 [100] 2012
Si/Ge, GaAs/AlAs, and SLs 1 and 2 [50] 2008
Ge 3 [154] 2010
Ge 4 [151] 2013
Semiconductors (Groups IV, III–V, and II–VI) 1 [117] 2008
Graphene 1 and 2 [54] 2010
Graphene and graphite 1 and 2 [55] 2011
Graphene (supported and suspended) 4 [140] 2012
Graphene (free-standing and strained) 1 [105] 2012
Graphene and graphite 1 [111] 2013
CNT to graphene (diameter dependence) 1 and 2 [53] 2010
CNT 4 [157] 2006
CNT 1 and 2 [52] 2009
CNT (empty and water-filled) 4 [77] 2010
CNT (on amorphous silica) 4 [152] 2011
BN (pristine and isotope-doped) 1 and 2 [56] 2011
BN (multilayer and nanotubes) (pristine and isotope-doped) 2 [58] 2012
Mg2 alloys (bulk and nanowire) 2 [63] 2012
Compound semiconductors (Si, Ge, GaAs, Al-V, Ga-V, In-V, SiC, AlN, etc.) 1 and 2 [112] 2013
Ionic solids (MgO, , and SrTiO3) 2 [49] 2011
GaN (GaAs, GaSb, and GaP) (pristine and isotope-doped) 1 and 2 [57] 2012
PbTe 1 [104] 2012
PbTe 4 [141] 2011
PbTe, PbSe, and 1 [106] 2012
4 [142] 2013
Heusler 3 [120] 2011
MgO 4 [76] 2009
Polyethylene 3 [155] 2009
Polyethylene 3 [156] 2009
GaAs 1 [118] 2013
GaAs/AlAs SLs 1 [119] 2012

Methods: 1: Standard SMRTA scheme; 2: Iterative Scheme; 3: time-domain NMA; 4: frequency-domain NMA.
FP: first principle.