Estimating carrier relaxation times in the Ba8Ga16Ge30 clathrate in the extrinsic regime

Hosting of La 3+ guest ions in type-I Ge clathrates: A first-principles characterization for thermoelectric applications

(2016) Robert L. González-Romero et al.   COMPUTATIONAL MATERIALS SCIENCE

Thermoelectricity in the context of renewable energy sources: joining forces instead of competing

(2016) Virgil Andrei et al.   Energy & Environmental Science

High thermoelectric performance from optimization of hole-doped CuInTe2

(2016) Gang Zhou et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

First-principles calculations of thermal, electrical, and thermoelectric transport properties of semiconductors

(2016) Jiawei Zhou et al.   SEMICONDUCTOR SCIENCE AND TECHNOLOGY

Quasiparticle band structures and thermoelectric transport properties of p-type SnSe

(2015) Guangsha Shi et al.   JOURNAL OF APPLIED PHYSICS

Thermoelectric properties of single-layered SnSe sheet

(2015) Fancy Qian Wang et al.   Nanoscale

First-principles study of anisotropic thermoelectric transport properties of IV-VI semiconductor compounds SnSe and SnS

(2015) Ruiqiang Guo et al.   PHYSICAL REVIEW B

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

(2015) Terumasa Tadano et al.   PHYSICAL REVIEW LETTERS

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

Nanostructured Clathrate Phonon Glasses: Beyond the Rattling Concept

(2014) Yuping He et al.   NANO LETTERS

Relative importance of grain boundaries and size effects in thermal conductivity of nanocrystalline materials

(2014) Huicong Dong et al.   Scientific Reports

BoltzWann: A code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis

(2013) Giovanni Pizzi et al.   COMPUTER PHYSICS COMMUNICATIONS

Thermoelectric properties of Au-containing type-I clathrates Ba8AuxGa16−3xGe30+2x

(2013) Zuxin Ye et al.   JOURNAL OF ALLOYS AND COMPOUNDS

A review on thermoelectric renewable energy: Principle parameters that affect their performance

(2013) Mohamed Hamid Elsheikh et al.   RENEWABLE & SUSTAINABLE ENERGY REVIEWS

Electronic and transport properties of polycrystalline Ba8Ga15Ge31 type I clathrate prepared by SPS method

(2012) J. Leszczynski et al.   JOURNAL OF SOLID STATE CHEMISTRY

Maximally localized Wannier functions: Theory and applications

(2012) Nicola Marzari et al.   REVIEWS OF MODERN PHYSICS

Perspectives on thermoelectrics: from fundamentals to device applications

(2011) M. Zebarjadi et al.   Energy & Environmental Science

Structural and Electronic Properties of Type I Clathrates M8Ga16Ge30 (M = Ba, Sr, Yb) from First-Principles Calculations

(2011) D.C. Li et al.   JOURNAL OF ELECTRONIC MATERIALS

Thermoelectric transport properties of silicon: Toward anab initioapproach

(2011) Zhao Wang et al.   PHYSICAL REVIEW B

On the Design of High-Efficiency Thermoelectric Clathrates through a Systematic Cross-Substitution of Framework Elements

(2010) Xun Shi et al.   ADVANCED FUNCTIONAL MATERIALS

EPW: A program for calculating the electron–phonon coupling using maximally localized Wannier functions

(2010) Jesse Noffsinger et al.   COMPUTER PHYSICS COMMUNICATIONS

Pressure induced phase transformation of Ba8Ga16Ge30 clathrate studied by x-ray diffraction and Raman spectroscopy

(2010) Tetsuji Kume et al.   JOURNAL OF APPLIED PHYSICS

First-principles calculations of electron mobilities in silicon: Phonon and Coulomb scattering

(2009) O. D. Restrepo et al.   APPLIED PHYSICS LETTERS

Zintl Chemistry for Designing High Efficiency Thermoelectric Materials†‡

(2009) Eric S. Toberer et al.   CHEMISTRY OF MATERIALS

Thermoelectric clathrates of type I

(2009) Mogens Christensen et al.   DALTON TRANSACTIONS

Atomic ordering and thermoelectric properties of the n-type clathrate Ba8Ni3.5Ge42.1□0.4

(2009) L. T. K. Nguyen et al.   DALTON TRANSACTIONS

Thermal stability and thermoelectric properties of p-type Ba8Ga16Ge30 clathrates

(2009) D. Cederkrantz et al.   JOURNAL OF APPLIED PHYSICS

First-principles investigation of organic semiconductors for thermoelectric applications

(2009) Dong Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Characterization and analysis of thermoelectric transport inn-typeBa8Ga16−xGe30+x

(2009) Andrew F. May et al.   PHYSICAL REVIEW B

Optimization of the thermoelectric properties of Ba8Ga16Ge30

(2008) J. Martin et al.   APPLIED PHYSICS LETTERS

High temperature thermoelectric transport properties of double-atom-filled clathrate compounds YbxBa8−xGa16Ge30

(2008) Xinfeng Tang et al.   JOURNAL OF APPLIED PHYSICS

Mechanical and thermal properties of single crystals of the type-I clathrate compounds Ba8Ga16Ge30 and Sr8Ga16Ge30

(2008) Norihiko L. Okamoto et al.   JOURNAL OF APPLIED PHYSICS

Avoided crossing of rattler modes in thermoelectric materials

(2008) Mogens Christensen et al.   NATURE MATERIALS

First-principles calculations of the vibrational and thermal properties of the type-I clathratesBa8Ga16SixGe30−xandSr8Ga16SixGe30−x

(2008) Emmanuel N. Nenghabi et al.   PHYSICAL REVIEW B

First principles calculations of the structural and electronic properties of the type-I semiconductor clathrate alloysBa8Ga16SixGe30−xandSr8Ga16SixGe30−x

(2008) Emmanuel N. Nenghabi et al.   PHYSICAL REVIEW B

High temperature thermoelectric efficiency inBa8Ga16Ge30

(2008) Eric S. Toberer 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

High-Thermoelectric Performance of Nanostructured Bismuth Antimony Telluride Bulk Alloys

(2008) B. Poudel et al.   SCIENCE

wannier90: A tool for obtaining maximally-localised Wannier functions

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