Significant Roles of Intrinsic Point Defects in Mg2X(X= Si, Ge, Sn) Thermoelectric Materials

Simultaneous Enhancement of Electrical Conductivity and Thermopower of Bi2 Te3 by Multifunctionality of Native Defects

(2015) Joonki Suh et al.   ADVANCED MATERIALS

The effect of point defects and nanoparticles on thermal conductivity of magnesium silicide

(2015) Hengji Zhang et al.   COMPUTATIONAL MATERIALS SCIENCE

High Performance Mg2(Si,Sn) Solid Solutions: a Point Defect Chemistry Approach to Enhancing Thermoelectric Properties

(2014) Guangyu Jiang et al.   ADVANCED FUNCTIONAL MATERIALS

Point Defect Engineering of High-Performance Bismuth-Telluride-Based Thermoelectric Materials

(2014) Lipeng Hu et al.   ADVANCED FUNCTIONAL MATERIALS

Part-crystalline part-liquid state and rattling-like thermal damping in materials with chemical-bond hierarchy

(2014) Wujie Qiu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

First-principles calculations for point defects in solids

(2014) Christoph Freysoldt et al.   REVIEWS OF MODERN PHYSICS

Charge-Compensated Compound Defects in Ga-containing Thermoelectric Skutterudites

(2013) Yuting Qiu et al.   ADVANCED FUNCTIONAL MATERIALS

Large thermal conductivity decrease in point defective Bi2Te3 bulk materials and superlattices

(2013) Konstantinos Termentzidis et al.   JOURNAL OF APPLIED PHYSICS

Predictions of the structural, electronic and thermodynamic properties of the anti-fluorite-type Mg2Sn under pressure from first principles

(2013) Yong Liu et al.   PHYSICA SCRIPTA

Low Electron Scattering Potentials in High Performance Mg2Si0.45Sn0.55Based Thermoelectric Solid Solutions with Band Convergence

(2013) Xiaohua Liu et al.   Advanced Energy Materials

Band Engineering of Thermoelectric Materials

(2012) Yanzhong Pei et al.   ADVANCED MATERIALS

Increased electrical conductivity in fine-grained (Zr,Hf)NiSn based thermoelectric materials with nanoscale precipitates

(2012) Han-Hui Xie et al.   APPLIED PHYSICS LETTERS

Phase stability of ternary antifluorite type compounds in the quasi-binary systems Mg2X–Mg2Y (X, Y = Si, Ge, Sn) via ab-initio calculations

(2012) Romain Viennois et al.   INTERMETALLICS

Roles of interstitial Mg in improving thermoelectric properties of Sb-doped Mg2Si0.4Sn0.6 solid solutions

(2012) Zhengliang Du et al.   JOURNAL OF MATERIALS CHEMISTRY

Improving the modified Becke-Johnson exchange potential

(2012) David Koller et al.   PHYSICAL REVIEW B

Convergence of Conduction Bands as a Means of Enhancing Thermoelectric Performance ofn-TypeMg2Si1−xSnxSolid Solutions

(2012) Wei Liu et al.   PHYSICAL REVIEW LETTERS

Optimized Thermoelectric Properties of Sb-Doped Mg2(1+z)Si0.5–ySn0.5Sbythrough Adjustment of the Mg Content

(2011) Wei Liu et al.   CHEMISTRY OF MATERIALS

Thermal stability and elastic properties of Mg2X (X=Si, Ge, Sn, Pb) phases from first-principle calculations

(2011) Dianwu Zhou et al.   COMPUTATIONAL MATERIALS SCIENCE

Resonant levels in bulk thermoelectric semiconductors

(2011) Joseph P. Heremans et al.   Energy & Environmental Science

Flux synthesis and thermoelectric properties of eco-friendly Sb doped Mg2Si0.5Sn0.5 solid solutions for energy harvesting

(2011) Hongli Gao et al.   JOURNAL OF MATERIALS CHEMISTRY

Mechanochemical synthesis and thermoelectric properties of high quality magnesium silicide

(2011) Sabah K. Bux et al.   JOURNAL OF MATERIALS CHEMISTRY

Merits and limits of the modified Becke-Johnson exchange potential

(2011) David Koller et al.   PHYSICAL REVIEW B

Effect of vacancies on the thermoelectric properties of Mg2Si1−xSbx(0⩽x⩽0.1)

(2011) T. Dasgupta et al.   PHYSICAL REVIEW B

High quality Mg2Sn crystals prepared by RF induction melting

(2010) H.Y. Chen et al.   JOURNAL OF CRYSTAL GROWTH

Low-temperature solid state reaction synthesis and thermoelectric properties of high-performance and low-cost Sb-doped Mg2Si0.6Sn0.4

(2010) Wei Liu et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Accurate treatment of solids with the HSE screened hybrid

(2010) Thomas M. Henderson et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

High-performance half-Heusler thermoelectric materials Hf1−x ZrxNiSn1−ySby prepared by levitation melting and spark plasma sintering

(2009) Cui Yu et al.   ACTA MATERIALIA

Thermodynamic modeling of the Mg–Ge–Pb system

(2009) Dmitri Nassyrov et al.   CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY

Microstructure and Thermoelectric Properties of n- and p-Type Doped Mg2Sn Compounds Prepared by the Modified Bridgman Method

(2009) H. Y. Chen et al.   JOURNAL OF ELECTRONIC MATERIALS

Vacancies in magnesium silicide - stoichiometric vacancies preferred?

(2009) Torsten E. M. Staab   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Localization and Delocalization Errors in Density Functional Theory and Implications for Band-Gap Prediction

(2008) Paula Mori-Sánchez et al.   PHYSICAL REVIEW LETTERS

High-Thermoelectric Performance of Nanostructured Bismuth Antimony Telluride Bulk Alloys

(2008) B. Poudel et al.   SCIENCE

Enhancement of Thermoelectric Efficiency in PbTe by Distortion of the Electronic Density of States

(2008) J. P. Heremans et al.   SCIENCE