Now showing items 1-2 of 2

    • Ab initio theory of the lattice thermal conductivity in diamond 

      Ward, Alistair; Broido, David; Stewart, Derek; Deinzer, Gernot (American Physical Society, 2009-09-16)
      We present a first-principles theoretical approach to calculate the lattice thermal conductivity of diamond based on an exact solution of the Boltzmann transport equation. Density-functional perturbation theory is employed ...
    • Intrinsic lattice thermal conductivity of semiconductors from first principles 

      Broido, David; Malorny, Michael; Birner, Gerd; Mingo, Natalio; Stewart, Derek (American Institute of Physics, 2007-12-07)
      We present an ab initio theoretical approach to accurately describe phonon thermal transport in semiconductors and insulators free of adjustable parameters. This technique combines a Boltzmann transport formalism with ...