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Title: Thermoelectric Properties of Mg 2 ( Ge , Sn ) : Model and Optimization of Z T

Journal Article · · Physical Review Applied
 [1];  [1]
  1. Univ. of Missouri, Columbia, MO (United States)

Here, we report an investigation of the thermoelectric properties of Mg 2 Ge 1 - x Sn x solid solution with x = 0.5 using models based on first-principles calculations and experimental data. The model gives transport properties including the figure of merit Z T as functions of carrier concentration and temperature. Moreover, the model for the n -type predicts high Z T at optimized doping, and suggests that the Z T value can exceed 2 at T = 1000 K .

Research Organization:
Energy Frontier Research Centers (EFRC) (United States). Solid-State Solar-Thermal Energy Conversion Center (S3TEC)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
SC0001299; FG02-09ER46577; SC0001299/DE-FG02-09ER46577
OSTI ID:
1371446
Alternate ID(s):
OSTI ID: 1238089
Journal Information:
Physical Review Applied, Vol. 5, Issue 2; Related Information: S3TEC partners with Massachusetts Institute of Technology (lead); Boston College; Oak Ridge National Laboratory; Rensselaer Polytechnic Institute; ISSN 2331-7019
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 44 works
Citation information provided by
Web of Science

References (47)

High figure of merit in partially filled ytterbium skutterudite materials journal January 2000
Generalized Gradient Approximation Made Simple journal October 1996
Electronic structure and thermoelectric properties of layered PbSe-WSe 2 materials journal August 2009
Highly effective Mg 2 Si 1 x Sn x thermoelectrics journal July 2006
Fabrication and thermoelectric properties of Mg2Si1−xSnx (0≤x≤1.0) solid solutions by solid state reaction and spark plasma sintering journal February 2009
Low-temperature solid state reaction synthesis and thermoelectric properties of high-performance and low-cost Sb-doped Mg 2 Si 0.6 Sn 0.4 journal February 2010
Enhanced hole concentration through Ga doping and excess of Mg and thermoelectric properties of p-type Mg2(1+z)(Si0.3Sn0.7)1−yGay journal January 2013
Low Electron Scattering Potentials in High Performance Mg 2 Si 0.45 Sn 0.55 Based Thermoelectric Solid Solutions with Band Convergence journal April 2013
Multiple-Filled Skutterudites: High Thermoelectric Figure of Merit through Separately Optimizing Electrical and Thermal Transports journal May 2011
High-throughput exploration of alloying as design strategy for thermoelectrics journal August 2015
Automotive Applications of Thermoelectric Materials journal February 2009
Large Enhancements in the Thermoelectric Power Factor of Bulk PbTe at High Temperature by Synergistic Nanostructuring journal October 2008
Enhancing the Thermoelectric Power Factor with Highly Mismatched Isoelectronic Doping journal January 2010
Improving p-type thermoelectric performance of Mg2(Ge,Sn) compounds via solid solution and Ag doping journal January 2013
Strained endotaxial nanostructures with high thermoelectric figure of merit journal January 2011
High thermoelectric figure of merit of Mg2Si0.55Sn0.4Ge0.05 materials doped with Bi and Sb journal October 2013
Multiscale calculations of thermoelectric properties of n -type Mg 2 Si 1 x Sn x solid solutions journal May 2012
n-type thermoelectric material Mg 2 Sn 0.75 Ge 0.25 for high power generation journal March 2015
Convergence of electronic bands for high performance bulk thermoelectrics journal May 2011
Enhancement of Thermoelectric Efficiency in PbTe by Distortion of the Electronic Density of States journal July 2008
Thermoelectric Materials for Space and Automotive Power Generation journal March 2006
Ba 2 TeO as an optoelectronic material: First-principles study journal May 2015
Lower limit to the thermal conductivity of disordered crystals journal September 1992
Bismuth telluride compounds with high thermoelectric figures of merit journal January 2003
Heavy Doping and Band Engineering by Potassium to Improve the Thermoelectric Figure of Merit in p-Type PbTe, PbSe, and PbTe 1– y Se y journal June 2012
The Thermoelectric Properties of Mixed Crystals of Mg[sub 2]Ge[sub x]Si[sub 1−x] journal January 1963
Convergence of Conduction Bands as a Means of Enhancing Thermoelectric Performance of n -Type Mg 2 Si 1 x Sn x Solid Solutions journal April 2012
Thermoelectric properties and electronic structure of p-type Mg2Si and Mg2Si0.6Ge0.4 compounds doped with Ga journal June 2011
Calculating electron transport coefficients of disordered alloys using the KKR-CPA method and Boltzmann approach: Application to Mg 2 Si 1 x Sn x thermoelectrics journal May 2013
Electronic and thermoelectric properties of Cu Co O 2 : Density functional calculations journal August 2007
Thermal Conductivity Reduction and Thermoelectric Figure of Merit Increase by Embedding Nanoparticles in Crystalline Semiconductors journal February 2006
Theory of band warping and its effects on thermoelectronic transport properties journal April 2014
BoltzTraP. A code for calculating band-structure dependent quantities journal July 2006
High-temperature thermoelectric performance of heavily doped PbSe journal July 2010
Thermoelectric automotive waste heat energy recovery using maximum power point tracking journal June 2009
Electronic Structure and Thermoelectric Properties of Pseudoquaternary $$\hbox{Mg}_{2}\hbox{Si}_{1-x-y}\hbox{Sn}_{x}\hbox{Ge}_{y}$$ Mg 2 Si 1 - x - y Sn x Ge y -Based Materials journal June 2014
Temperature Dependence of Thermoelectric Properties of Mg<SUB>2</SUB>Si<SUB>0.6</SUB>Ge<SUB>0.4</SUB> journal January 1992
Recent advances on Mg2Si1−xSnx materials for thermoelectric generation journal September 2014
Thermoelectric Properties and Electronic Structure of Bi- and Ag-Doped Mg2Si1−x Ge x Compounds journal March 2009
Doping and temperature dependence of thermoelectric properties in Mg 2 (Si,Sn) journal October 2012
Electronic structure calculations with the Tran-Blaha modified Becke-Johnson density functional journal November 2010
STUDY OF ELECTRON, PHONON AND CRYSTAL STABILITY VERSUS THERMOELECTRIC PROPERTIES IN Mg 2 X ( X = Si , Sn ) COMPOUNDS AND THEIR ALLOYS journal October 2013
Importance of non-parabolic band effects in the thermoelectric properties of semiconductors journal November 2013
Enhanced Thermoelectric Figure-of-Merit in p-Type Nanostructured Bismuth Antimony Tellurium Alloys Made from Elemental Chunks journal August 2008
Heavily Doped p-Type PbSe with High Thermoelectric Performance: An Alternative for PbTe journal February 2011
Importance of relativistic effects in electronic structure and thermopower calculations for Mg 2 Si , Mg 2 Ge , and Mg 2 Sn journal March 2014
Electronic structure calculations of solids using the WIEN2k package for material sciences journal August 2002

Cited By (9)

Sb Substitution Effect on Thermoelectric Properties of Mg2Si journal April 2017
First-principles study of thermoelectric properties of Mg 2 Si–Mg 2 Pb semiconductor materials journal January 2018
Bilayer MSe 2 (M = Zr, Hf) as promising two-dimensional thermoelectric materials: a first-principles study journal January 2019
Thermoelectric properties of n -type SrTiO 3 journal October 2016
Relativistic quasiparticle band structures of Mg 2 Si, Mg 2 Ge, and Mg 2 Sn: Consistent parameterization and prediction of Seebeck coefficients journal February 2018
Thermoelectric properties of SnSe 2 monolayer journal November 2016
Thermoelectric properties of monolayer M Se 2 (M = Zr, Hf): low lattice thermal conductivity and a promising figure of merit journal August 2016
Electron and phonon transport properties of layered Bi 2 O 2 Se and Bi 2 O 2 Te from first-principles calculations journal December 2018
Hydrogenation: An effective strategy to improve the thermoelectric properties of multilayer silicene journal June 2019

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