Electronic, vibrational, and transport properties of pnictogen-substituted ternary skutterudites

Can Disorder Alone Destroy theeg′Hole Pockets ofNaxCoO2? A Wannier Function Based First-Principles Method for Disordered Systems

(2011) Tom Berlijn et al.   PHYSICAL REVIEW LETTERS

Skutterudite-Based Thermoelectric Technology for Waste Heat Recovery: Progress Towards a 1 kW Generator

(2011) Jeff S. Sakamoto et al.   Science of Advanced Materials

Nanostructured Thermoelectrics: Big Efficiency Gains from Small Features

(2010) Christopher J. Vineis et al.   ADVANCED MATERIALS

Charge ordering in half-doped manganites: Weak charge disproportion and leading mechanisms

(2010) Dmitri Volja et al.   EPL

Effect of filler mass and binding on thermal conductivity of fully filled skutterudites

(2010) Mona Zebarjadi et al.   PHYSICAL REVIEW B

Effects of filling inCoSb3: Local structure, band gap, and phonons from first principles

(2010) Daehyun Wee et al.   PHYSICAL REVIEW B

Structural Order-Disorder Transitions and Phonon Conductivity of Partially Filled Skutterudites

(2010) Hyoungchul Kim et al.   PHYSICAL REVIEW LETTERS

Density functional characterization of the electronic structure and optical properties of Cr-doped SrTiO3

(2009) Wei Wei et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

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

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

Structure and electrical transport properties of the ordered skutterudites MGe1.5S1.5 (M=Co, Rh, Ir)

(2008) Paz Vaqueiro et al.   JOURNAL OF SOLID STATE CHEMISTRY

Complex thermoelectric materials

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

Synthesis and Rietveld refinement of skutterudite-related phase CoSn1.5Te1.5

(2008) F. Laufek et al.   POWDER DIFFRACTION

wannier90: A tool for obtaining maximally-localised Wannier functions

(2007) Arash A. Mostofi et al.   COMPUTER PHYSICS COMMUNICATIONS