Thermal conductivity of half-Heusler compounds from first-principles calculations

Enhanced Thermoelectric Figure of Merit of p-Type Half-Heuslers

(2011) Xiao Yan et al.   NANO LETTERS

Heat transport in silicon from first-principles calculations

(2011) Keivan Esfarjani et al.   PHYSICAL REVIEW B

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

Enhancement in Thermoelectric Figure-Of-Merit of an N-Type Half-Heusler Compound by the Nanocomposite Approach

(2011) Giri Joshi et al.   Advanced Energy Materials

Fityk: a general-purpose peak fitting program

(2010) Marcin Wojdyr   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Predicting phonon dispersion relations and lifetimes from the spectral energy density

(2010) John A. Thomas et al.   PHYSICAL REVIEW B

Size effects in molecular dynamics thermal conductivity predictions

(2010) D. P. Sellan et al.   PHYSICAL REVIEW B

Nanostructured Thermoelectrics: The New Paradigm?†

(2009) Mercouri G. Kanatzidis   CHEMISTRY OF MATERIALS

Bulk nanostructured thermoelectric materials: current research and future prospects

(2009) A. J. Minnich et al.   Energy & Environmental Science

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Effect of mechanical milling on thermoelectric properties of half-Heusler ZrNiSn0.98Sb0.02 intermetallic compound

(2009) Shigeru Katsuyama et al.   Materials Science and Engineering B-Advanced Functional Solid-State Materials

Ab initiotheory of the lattice thermal conductivity in diamond

(2009) A. Ward et al.   PHYSICAL REVIEW B

Thermodynamic properties of PbTe, PbSe, and PbS: First-principles study

(2009) Yi Zhang et al.   PHYSICAL REVIEW B

Thermal Conductivity of MgO Periclase from Equilibrium First Principles Molecular Dynamics

(2009) Nico de Koker   PHYSICAL REVIEW LETTERS

(Zr,Hf)Co(Sb,Sn) half-Heusler phases as high-temperature (>700°C) p-type thermoelectric materials

(2008) Slade R. Culp et al.   APPLIED PHYSICS LETTERS

A Special Issue on Nanoscale Heat Transfer

(2008) Gang Chen et al.   Journal of Computational and Theoretical Nanoscience

Method to extract anharmonic force constants from first principles calculations

(2008) Keivan Esfarjani et al.   PHYSICAL REVIEW B

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

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