Ultralow lattice thermal conductivity of the fully filled skutteruditeYbFe4Sb12due to the flat avoided-crossing filler modes

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

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ShengBTE: A solver of the Boltzmann transport equation for phonons

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Vibrational dynamics of the filled skutterudite Yb1−xFe4Sb12: Debye-Waller factor, generalized density of states, and elastic structure factor

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Lattice dynamics and thermal conductivity of skutteruditesCoSb3andIrSb3from first principles: WhyIrSb3is a better thermal conductor thanCoSb3

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Phonon thermal transport in strained and unstrained graphene from first principles

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Localization of Propagative Phonons in a Perfectly Crystalline Solid

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

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Thermal conductivity and phonon linewidths of monolayer MoS2 from first principles

(2013) Wu Li et al.   APPLIED PHYSICS LETTERS

Thermal conductivity of bulk and nanowire InAs, AlN, and BeO polymorphs from first principles

(2013) Wu Li et al.   JOURNAL OF APPLIED PHYSICS

Ab initiothermal transport in compound semiconductors

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First-Principles Determination of Ultrahigh Thermal Conductivity of Boron Arsenide: A Competitor for Diamond?

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Ab initioLattice Thermal Conductivity ofMgSiO3Perovskite as Found in Earth’s Lower Mantle

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Phonon Lifetime Investigation of Anharmonicity and Thermal Conductivity ofUO2by Neutron Scattering and Theory

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Phonon conduction in PbSe, PbTe, and PbTe1−xSexfrom first-principles calculations

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Thermal conductivity of diamond nanowires from first principles

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Thermal conductivity of bulk and nanowire Mg2SixSn1−xalloys from first principles

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Thermal Conductivity and Large Isotope Effect in GaN from First Principles

(2012) L. Lindsay et al.   PHYSICAL REVIEW LETTERS

High-temperature electrical and thermal transport properties of fully filled skutterudites RFe4Sb12 (R = Ca, Sr, Ba, La, Ce, Pr, Nd, Eu, and Yb)

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Lattice dynamics and anomalous softening in the YbFe4Sb12skutterudite

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Vibrational dynamics of the filled skutteruditesM1−xFe4Sb12(M=Ca, Sr, Ba, and Yb): Temperature response, dispersion relation, and material properties

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Role of Disorder and Anharmonicity in the Thermal Conductivity of Silicon-Germanium Alloys: A First-Principles Study

(2011) Jivtesh Garg et al.   PHYSICAL REVIEW LETTERS

Vibrational dynamics of filled skutteruditesM1−xFe4Sb12(M=Ca, Sr, Ba, and Yb)

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Lattice thermal conductivity of MgO at conditions of Earth's interior

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Ab initiotheory of the lattice thermal conductivity in diamond

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Breakdown of phonon glass paradigm in La- and Ce-filled Fe4Sb12 skutterudites

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Avoided crossing of rattler modes in thermoelectric materials

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Complex thermoelectric materials

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First-principles calculations of the ferroelastic transition between rutile-type andCaCl2-typeSiO2at high pressures

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