Quadratic and Peierls heat currents produce nearly identical lattice thermal conductivities across solid argon, mass-alternating argon model, and alpha-quartz, with optical modes exceeding acoustic contributions in quartz and relaxation time approximation underestimating all values.
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Lattice thermal conductivity decomposition: Peierls vs. non-Peierls contributions
Quadratic and Peierls heat currents produce nearly identical lattice thermal conductivities across solid argon, mass-alternating argon model, and alpha-quartz, with optical modes exceeding acoustic contributions in quartz and relaxation time approximation underestimating all values.