Ultralow Thermal Conductivity in Full Heusler Semiconductors

Orbitally driven giant phonon anharmonicity in SnSe

(2015) C. W. Li et al.   Nature Physics

Low-Dimensional Transport and Large Thermoelectric Power Factors in Bulk Semiconductors by Band Engineering of Highly Directional Electronic States

(2015) Daniel I. Bilc et al.   PHYSICAL REVIEW LETTERS

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

(2015) Terumasa Tadano et al.   PHYSICAL REVIEW LETTERS

High Efficiency Half-Heusler Thermoelectric Materials for Energy Harvesting

(2015) Tiejun Zhu et al.   Advanced Energy Materials

The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies

(2015) Scott Kirklin et al.   npj Computational Materials

ShengBTE: A solver of the Boltzmann transport equation for phonons

(2014) Wu Li et al.   COMPUTER PHYSICS COMMUNICATIONS

Nanostructured Clathrate Phonon Glasses: Beyond the Rattling Concept

(2014) Yuping He et al.   NANO LETTERS

Ultralow thermal conductivity and high thermoelectric figure of merit in SnSe crystals

(2014) Li-Dong Zhao et al.   NATURE

Modeling the thermal conductivities of the zinc antimonides ZnSb and Zn4Sb3

(2014) Lasse Bjerg et al.   PHYSICAL REVIEW B

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

(2014) Fei Zhou et al.   PHYSICAL REVIEW LETTERS

Broad temperature plateau for thermoelectric figure of merit ZT>2 in phase-separated PbTe0.7S0.3

(2014) H. J. Wu et al.   Nature Communications

Finding Unprecedentedly Low-Thermal-Conductivity Half-Heusler Semiconductors via High-Throughput Materials Modeling

(2014) Jesús Carrete et al.   Physical Review X

Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD)

(2013) James E. Saal et al.   JOM

Recent progress of half-Heusler for moderate temperature thermoelectric applications

(2013) Shuo Chen et al.   Materials Today

Thermoelectric properties of tungsten-substituted Heusler Fe2VAl alloy

(2012) M. Mikami et al.   JOURNAL OF APPLIED PHYSICS

High Performance Thermoelectricity in Earth-Abundant Compounds Based on Natural Mineral Tetrahedrites

(2012) Xu Lu et al.   Advanced Energy Materials

Enhanced Thermoelectric Properties in Zinc Antimonides

(2011) Lasse Bjerg et al.   CHEMISTRY OF MATERIALS

Effects of Heavy Element Substitution on Electronic Structure and Lattice Thermal Conductivity of Fe2VAl Thermoelectric Material

(2011) Yuichi Terazawa et al.   JOURNAL OF ELECTRONIC MATERIALS

Phonon engineering through crystal chemistry

(2011) Eric S. Toberer et al.   JOURNAL OF MATERIALS CHEMISTRY

Simple rules for the understanding of Heusler compounds

(2011) Tanja Graf et al.   PROGRESS IN SOLID STATE CHEMISTRY

Crystal structure prediction using the minima hopping method

(2010) Maximilian Amsler et al.   JOURNAL OF CHEMICAL PHYSICS

High Thermoelectric Power Factor Near Room Temperature in Full-Heusler Alloys

(2009) Eric J. Skoug et al.   JOURNAL OF ELECTRONIC MATERIALS

Complex thermoelectric materials

(2008) G. Jeffrey Snyder et al.   NATURE MATERIALS

Density functional perturbation theory with spin-orbit coupling: Phonon band structure of lead

(2008) Matthieu J. Verstraete et al.   PHYSICAL REVIEW B

Electronic transport in Heusler-typeFe2VAl1−xMxalloys(M=B,In,Si)

(2008) M. Vasundhara et al.   PHYSICAL REVIEW B

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

(2008) Atsushi Togo et al.   PHYSICAL REVIEW B