Quartic Anharmonicity of Rattlers and Its Effect on Lattice Thermal Conductivity of Clathrates from First Principles

First-Principles Lattice Dynamics Method for Strongly Anharmonic Crystals

(2018) Terumasa Tadano et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

Direct measurement of individual phonon lifetimes in the clathrate compound Ba7.81Ge40.67Au5.33

(2017) Pierre-François Lory et al.   Nature Communications

“Glass-like” thermal conductivity gradually induced in thermoelectric Sr8Ga16Ge30 clathrate by off-centered guest atoms

(2016) Sebastian Christensen et al.   JOURNAL OF APPLIED PHYSICS

First Principles Peierls-Boltzmann Phonon Thermal Transport: A Topical Review

(2016) Lucas Lindsay   Nanoscale and Microscale Thermophysical Engineering

Self-consistent phonon calculations of lattice dynamical properties in cubicSrTiO3with first-principles anharmonic force constants

(2015) Terumasa Tadano et al.   PHYSICAL REVIEW B

Impact of Rattlers on Thermal Conductivity of a Thermoelectric Clathrate: A First-Principles Study

(2015) Terumasa Tadano et al.   PHYSICAL REVIEW LETTERS

Anharmonic force constants extracted from first-principles molecular dynamics: applications to heat transfer simulations

(2014) T Tadano et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Anharmonic free energies and phonon dispersions from the stochastic self-consistent harmonic approximation: Application to platinum and palladium hydrides

(2014) Ion Errea et al.   PHYSICAL REVIEW B

Localization of Propagative Phonons in a Perfectly Crystalline Solid

(2014) S. Pailhès et al.   PHYSICAL REVIEW LETTERS

Lattice Anharmonicity and Thermal Conductivity from Compressive Sensing of First-Principles Calculations

(2014) Fei Zhou et al.   PHYSICAL REVIEW LETTERS

Phonon-glass electron-crystal thermoelectric clathrates: Experiments and theory

(2014) Toshiro Takabatake et al.   REVIEWS OF MODERN PHYSICS

VESTA 3for three-dimensional visualization of crystal, volumetric and morphology data

(2011) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Lattice thermal conductivity: Computations and theory of the high-temperature breakdown of the phonon-gas model

(2010) Tao Sun et al.   PHYSICAL REVIEW B

Off-center rattling modes and glasslike thermal conductivity in the type-I clathrateBa8Ga16Sn30

(2010) K. Suekuni et al.   PHYSICAL REVIEW B

Characterization and analysis of thermoelectric transport inn-typeBa8Ga16−xGe30+x

(2009) Andrew F. May et al.   PHYSICAL REVIEW B

Ba8Ga16Sn30 with type-I clathrate structure: Drastic suppression of heat conduction

(2008) M. A. Avila et al.   APPLIED PHYSICS LETTERS

Avoided crossing of rattler modes in thermoelectric materials

(2008) Mogens Christensen et al.   NATURE MATERIALS

Entropy Driven Stabilization of Energetically Unstable Crystal Structures Explained from First Principles Theory

(2008) P. Souvatzis et al.   PHYSICAL REVIEW LETTERS