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    • 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 ...