High-temperature thermal conductivity of ferroelectric and antiferroelectric perovskites

Field Dependent Thermal Conductivity of SrTiO3, BaTiO3 and KTaO3 Ferroelectric Perovskites

–Expressions are obtained for the thermal conductivity of some ABO3 type displacive ferroelectrics in paraelectric phase, using Kubo formalism and double time thermal Green’s function technique. The total thermal conductivity obtained for these perovskites which is sum of two terms contributed by optical and acoustical phonons, is in agreement with the experimental results of Steigmeier. The va...

High-Throughput Computation of Thermal Conductivity of High-Temperature Solid Phases: The Case of Oxide and Fluoride Perovskites

Using finite-temperature phonon calculations and machine-learning methods, we assess the mechanical stability of about 400 semiconducting oxides and fluorides with cubic perovskite structures at 0, 300, and 1000 K. We find 92 mechanically stable compounds at high temperatures—including 36 not mentioned in the literature so far—for which we calculate the thermal conductivity. We show that the th...

Ultralow thermal conductivity in all-inorganic halide perovskites.

Controlling the flow of thermal energy is crucial to numerous applications ranging from microelectronic devices to energy storage and energy conversion devices. Here, we report ultralow lattice thermal conductivities of solution-synthesized, single-crystalline all-inorganic halide perovskite nanowires composed of CsPbI3 (0.45 ± 0.05 W·m-1·K-1), CsPbBr3 (0.42 ± 0.04 W·m-1·K-1), and CsSnI3 (0.38 ...

ac conductivity and conduction mechanism of NaNbO 3 semiconductor antiferroelectric ceramic: A relaxational approach at high temperature

Thermal conductivity of solid argon at high pressure and high temperature: a molecular dynamics study.

The thermal conductivity of solid argon at high-pressure (up to 50 GPa) and high-temperature (up to 2000 K) has been calculated by equilibrium molecular dynamics simulations using the Green-Kubo formalism and an exponential-6 interatomic potential. A simple empirical expression is given for its pressure and temperature dependence. The results are compared with predictions based on kinetic theor...