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Influence of microstructural defects on the thermal conductivity of Ga N : A molecular dynamics study
Author(s) -
Spiteri David,
Pomeroy James W.,
Kuball Martin
Publication year - 2013
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.201349052
Subject(s) - thermal conductivity , materials science , dislocation , molecular dynamics , stacking , conductivity , gallium nitride , thermal , crystal (programming language) , composite material , condensed matter physics , thermodynamics , chemistry , computational chemistry , layer (electronics) , physics , computer science , programming language , organic chemistry
The lattice thermal conductivity is known to depend on crystal quality, but the reduction in thermal conductivity due to specific defects is presently unclear. Molecular dynamics simulations were used to investigate the impact of microstructural defects on the thermal conductivity of gallium nitride. The conductivity of a finite crystal was reduced to (39 ± 4)% by a screw dislocation density of 2.0 × 10 13 cm −2 and to (51 ± 4)% by an edge dislocation of similar density, illustrating that the type of dislocation is important for thermal conductivity. The effect of stacking faults on thermal conductivity was also investigated.