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High Performance Thermoelectricity in Earth-Abundant Compounds Based on Natural Mineral Tetrahedrites
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journal
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October 2012 |
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High Efficiency Half-Heusler Thermoelectric Materials for Energy Harvesting
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journal
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July 2015 |
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High Thermoelectric Power Factor Near Room Temperature in Full-Heusler Alloys
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journal
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January 2009 |
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Effects of Heavy Element Substitution on Electronic Structure and Lattice Thermal Conductivity of Fe2VAl Thermoelectric Material
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journal
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December 2011 |
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Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD)
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journal
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September 2013 |
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Full-potential, linearized augmented plane wave programs for crystalline systems
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journal
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June 1990 |
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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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journal
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July 1996 |
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BoltzTraP. A code for calculating band-structure dependent quantities
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journal
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July 2006 |
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ShengBTE: A solver of the Boltzmann transport equation for phonons
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journal
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June 2014 |
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Recent progress of half-Heusler for moderate temperature thermoelectric applications
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journal
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October 2013 |
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Simple rules for the understanding of Heusler compounds
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journal
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May 2011 |
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Enhanced Thermoelectric Properties in Zinc Antimonides
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journal
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September 2011 |
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Nanostructured Clathrate Phonon Glasses: Beyond the Rattling Concept
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journal
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April 2014 |
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Thermoelectric Properties of Bismuth Telluride and its Alloys
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journal
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March 1958 |
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Ultralow thermal conductivity and high thermoelectric figure of merit in SnSe crystals
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journal
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April 2014 |
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Broad temperature plateau for thermoelectric figure of merit ZT>2 in phase-separated PbTe0.7S0.3
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journal
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July 2014 |
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Disordered zinc in Zn4Sb3 with phonon-glass and electron-crystal thermoelectric properties
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journal
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June 2004 |
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Complex thermoelectric materials
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journal
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February 2008 |
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Orbitally driven giant phonon anharmonicity in SnSe
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journal
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October 2015 |
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The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies
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journal
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December 2015 |
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Phonon engineering through crystal chemistry
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journal
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January 2011 |
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Semiconducting Ge clathrates: Promising candidates for thermoelectric applications
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journal
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July 1998 |
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Hybrid functionals based on a screened Coulomb potential
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journal
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May 2003 |
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Minima hopping: An efficient search method for the global minimum of the potential energy surface of complex molecular systems
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June 2004 |
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Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)]
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June 2006 |
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Erratum: “Screened hybrid density functionals applied to solids” [J. Chem. Phys. 124, 154709 (2006)]
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journal
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December 2006 |
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Crystal structure prediction using the minima hopping method
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journal
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December 2010 |
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Chemical trends of the rattling phonon modes in alloyed germanium clathrates
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journal
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June 2000 |
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Thermoelectric properties of tungsten-substituted Heusler Fe 2 VAl alloy
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journal
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May 2012 |
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Why clathrates are good thermoelectrics: A theoretical study of Sr8Ga16Ge30
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journal
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August 1999 |
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Projector augmented-wave method
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journal
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December 1994 |
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From ultrasoft pseudopotentials to the projector augmented-wave method
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journal
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January 1999 |
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Slater-Pauling behavior and origin of the half-metallicity of the full-Heusler alloys
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journal
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November 2002 |
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Thermal and transport properties of the Heusler-type Fe 2 VAl 1 − x Ge x ( 0 ≤ x ≤ 0.20 ) alloys: Effect of doping on lattice thermal conductivity, electrical resistivity, and Seebeck coefficient
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journal
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September 2006 |
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Electronic transport in Heusler-type Fe 2 VAl 1 − x M x alloys ( M = B , In , Si )
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journal
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June 2008 |
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Density functional perturbation theory with spin-orbit coupling: Phonon band structure of lead
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journal
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July 2008 |
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First-principles calculations of the ferroelastic transition between rutile-type and CaCl 2 -type SiO 2 at high pressures
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journal
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October 2008 |
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Modeling the thermal conductivities of the zinc antimonides ZnSb and Zn 4 Sb 3
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journal
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January 2014 |
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Lattice Anharmonicity and Thermal Conductivity from Compressive Sensing of First-Principles Calculations
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journal
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October 2014 |
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Impact of Rattlers on Thermal Conductivity of a Thermoelectric Clathrate: A First-Principles Study
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journal
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March 2015 |
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Low-Dimensional Transport and Large Thermoelectric Power Factors in Bulk Semiconductors by Band Engineering of Highly Directional Electronic States
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journal
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March 2015 |
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Generalized Gradient Approximation Made Simple
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October 1996 |
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Glasslike Heat Conduction in High-Mobility Crystalline Semiconductors
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January 1999 |
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Theoretical Study of the Lattice Thermal Conductivity in Ge Framework Semiconductors
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March 2001 |
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Finding Unprecedentedly Low-Thermal-Conductivity Half-Heusler Semiconductors via High-Throughput Materials Modeling
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February 2014 |
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Lattice Vibrations and Heat Transport in Crystals and Glasses
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journal
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October 1988 |
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Thermoelectrics Handbook: Macro to Nano
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January 2017 |
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Phonon band structures and resonant scattering in Na 8 Si 46 and Cs 8 Sn 44 clathrates
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journal
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October 2001 |
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Recent Developments in Bulk Thermoelectric Materials
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journal
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March 2006 |
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Properties of Nanostructured One-Dimensional and Composite Thermoelectric Materials
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journal
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March 2006 |