Atomistic Simulation of the Size and Orientation Dependences of Thermal Conductivity in GaN Nanowires

Journal Article · Mon Apr 16 04:00:00 EDT 2007 · Applied Physics Letters, 90(16):Art. No. 161923

DOI:https://doi.org/10.1063/1.2730747· OSTI ID:908730

Wang, Zhiguo; Zu, Xiaotao; Gao, Fei; Weber, William J; Crocombette, J -P

The thermal conductivity of GaN nanowires has been determined computationally, by applying nonequilibrium atomistic simulation methods using the Stillinger-Weber [Phys. Rev. B 31, 5262 (1985)] potentials. The simulation results show that the thermal conductivity of the GaN nanowires is smaller than that of a bulk crystal and increases with increasing diameter. Surface scattering of phonons and the high surface to volume ratios of the nanowires are primarily responsible for the reduced thermal conductivity and its size dependence behavior. The thermal conductivity is also found to decrease with increasing temperature, which is due to phonon-phonon interactions at high temperatures. The thermal conductivity also exhibits a dependence on axial orientation of the nanowires.

• Research Organization: Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC05-76RL01830
• OSTI ID: 908730
• Report Number(s): PNNL-SA-54253; 8208; KC0201020
• Journal Information: Applied Physics Letters, 90(16):Art. No. 161923, Journal Name: Applied Physics Letters, 90(16):Art. No. 161923 Journal Issue: 16 Vol. 90; ISSN APPLAB; ISSN 0003-6951
• Country of Publication: United States
• Language: English

Related Subjects

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS
Computer simulations
Environmental Molecular Sciences Laboratory
GaN
Nanowires
ORIENTATION
PHONONS
SCATTERING
SIMULATION
THERMAL CONDUCTIVITY
Thermal conductivity