Solving the phonon Boltzmann equation with the variational method

Journal Article · Mon Apr 15 00:00:00 EDT 1991 · Physical Review, B: Condensed Matter; (USA)

DOI:https://doi.org/10.1103/PhysRevB.43.9238· OSTI ID:5487926

Pettersson, S ^[1]

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1. Solid State Division, Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, Tennessee 37831-6030 (USA) Department of Physics, University of Tennessee, Knoxville, Tennessee 37996-1200 Department of Astronomy, University of Tennessee, Knoxville, Tennessee 37996-1200

The thermal conductivity of 17 alkali halides with the NaCl structure has been calculated. The deformation-dipole model has been used to calculate realistic phonon dispersion relations, which are used to solve the Boltzmann equation with the variational method. Many different trial functions and linear combinations have been used and the resultant approximate solutions are discussed. Assuming different trial functions for different branches increases the calculated thermal conductivity by 10--150 %. The error estimates suggest that the true solution to the Boltzmann equation would increase the calculated thermal conductivity by another 100%.

• DOE Contract Number: AC05-84OR21400
• OSTI ID: 5487926
• Journal Information: Physical Review, B: Condensed Matter; (USA), Vol. 43:11; ISSN 0163-1829
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ALKALI METAL COMPOUNDS
THERMAL CONDUCTIVITY
BOLTZMANN EQUATION
DISPERSION RELATIONS
HALIDES
PHONONS
VARIATIONAL METHODS
DIFFERENTIAL EQUATIONS
EQUATIONS
HALOGEN COMPOUNDS
PARTIAL DIFFERENTIAL EQUATIONS
PHYSICAL PROPERTIES
QUASI PARTICLES
THERMODYNAMIC PROPERTIES
360603* - Materials- Properties