Beijing, 100084
China
Tsinghua University
first-principles calculation, thermoelectric materials, layered nitrides, high-order anharmonicity, rattling effect, unique electronic structure
first-principles calculation, anharmonic lattice dynamics, lattice thermal transport, Boltzmann transport equations
first-principle calculations, Lattice thermal conductivity, rattling behavior, anomalous phonon transport, thermoelectric performance
first-principles calculation, anharmonic lattice dynamics, lattice thermal transport, electron transport characteristics, thermoelectric properties