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RESEARCH PAPER · Applied Physics Letters · 2021

Half-Heusler thermoelectric materials

Kaiyang Xia, Chaoliang Hu, Chenguang Fu, Xinbing Zhao, Tiejun Zhu

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Half-Heusler thermoelectric materialsOriginalAdvances in half-Heusler alloys for thermoelectric power generation274Interfacial Decoration Tailoring the Thermoelectric Performance of TiCoNixSb Half-Heusler Compounds6Reduced Lattice Thermal Conductivity for Half-Heusler ZrNiSn through Cryogenic Mechanical Alloying51Unravelling the phonon scattering mechanism in half-Heusler alloys ZrCo1− x Ir x Sb (x = 0, 0.1 and 0.25)10Carrier grain boundary scattering in thermoelectric materials409Discovery of triple half-Heusler Mg 2 VNi 3 Sb 3 with low thermal conductivity18Grain boundary in NbCo(Pt)Sn half-Heusler compounds: Segregation and solute drag on grain boundary migration17Recent Advances in Energy Harvesting from Waste Heat Using Emergent Thermoelectric Materials27Thermoelectric property enhancement by merging bands in NbFeSb-based half-Heusler mixtures20Microwave-assisted synthesis of thermoelectric oxides and chalcogenides15Thermodynamic approaches to determine the vacancy concentration in defective Nb1-CoSb half-Heusler thermoelectric materials13Thermoelectric Properties of Ta-doped Zr0.6-xTi0.4TaxNiSn n-type Half-Heusler Materials2Unsupervised machine learning for discovery of promising half-Heusler thermoelectric materials102An Insight into the Electronic, Optical and Transport Properties of a Half Heusler Alloy: NiVSi5Discovery of a Slater–Pauling Semiconductor ZrRu1.5Sb with Promising Thermoelectric Properties31Evolution of a weak magnetic moment in the FeNbSb based HH materials via Ni doping at Fe site3Ab Initio Study of the Thermodynamics of Intrinsic Point Defects in Thermoelectric Oxychalcogenide BiCuSeO4Energy band and charge-carrier engineering in skutterudite thermoelectric materials7First‐principle calculations on Li2CuSb : A novel material for lithium‐ion batteries5Computationally accelerated discovery of functional and structural Heusler materials14Magnetic Weyl and quadratic nodal lines in inverse-Heusler-based fully compensated ferrimagnetic half-metals22High-throughput screening of room temperature active Peltier cooling materials in Heusler compounds16Structural Dynamics, Phonon Spectra and Thermal Transport in the Silicon Clathrates6First-principles investigation on the novel half-Heusler VXTe (X=Cr, Mn, Fe, and Co) alloys for spintronic and thermoelectric applications35Predicting the Thermoelectric Performance of p-type VFeBi Based on Scattering Mechanisms2Thermal-inert and ohmic-contact interface for high performance half-Heusler based thermoelectric generator94Preparation and structure dependent thermoelectric properties of flexible N-type nanostructured silver(I) selenide/multi-walled carbon nanotube composite film19Nowotny-Juza phase KBeX (X = N, P, As, Sb, and Bi) half-Heusler compounds: applicability in photovoltaics and thermoelectric generators45Co-alloying of Sn and Te enables high thermoelectric performance in Ag 9 GaSe 621Highly porous thermoelectric composites with high figure of merit and low thermal conductivity from solution-synthesized porous Bi 2 Si 2 Te 6 nanosheets1Intrinsic conductivity as an indicator for better thermoelectrics25Recent progress of cryogenic thermoelectric materials6Systematic Study of Stable Palladium and Nickel Based Half-Heusler Compounds for Thermoelectric Generators0Systematic Study of Stable Palladium and Nickel Based Half-Heusler Compounds for Thermoelectric Generators0Systematic Study of Stable Palladium and Nickel Based Half-Heusler Compounds for Thermoelectric Generators1Improved Thermoelectric Performance of NbCoSb with Intrinsic Nb Vacancies and Ni-Doping-Induced Band Degeneracy5Advancing thermoelectrics by suppressing deep-level defects in Pb-doped AgCrSe2 alloys1Structural, half-metallic, electronic, magnetic and pressure-induced elastic changes of PdVSi, PdVGe, PdVSn, and PdVSb alloys5Asymmetric Thermoelectric Performance Tuning in Low-Cost ZrFexNi1–xSb Double Half-Heusler Materials33Ni atomic disorder in ZrNiSn revealed by scanning transmission electron microscopy14Enhancement of thermoelectric performance in TiNiSbxSn1-x half-Heusler alloys3Recent trends of ternary, quaternary half-Heusler thermoelectric materials and contact resistance effect on their power output efficiency11Selective Scatterings of Phonons and Electrons in Defective Half‐Heusler Nb 1− δ CoSb for the Figure of Merit zT > 117Thermoelectric Properties Investigation of Ni/Co Doped ZrCoBi Half-Heusler Alloy1Opening the Bandgap of Metallic Half‐Heuslers via the Introduction of d–d Orbital Interactions32ZrNiSn-based compounds with high thermoelectric performance and ultralow lattice thermal conductivity via introduction of multiscale scattering centers26Advancing Thermoelectric Materials: A Comprehensive Review Exploring the Significance of One-Dimensional Nano Structuring64Phonon engineering significantly reducing thermal conductivity of thermoelectric materials: a review62Chiral molecules and magnets as efficient thermoelectric converters2Electronic structure and elastic properties of double half-Heusler thermoelectric materials MgXY2Z2 (X=Zr/Hf, Y=Pd/Pt, Z=Bi/Sb)8Optically controlling the competition between spin flips and intersite spin transfer in a Heusler half-metal on sub–100-fs time scales28Advancement in half-Heusler thermoelectric materials and strategies to enhance the thermoelectric performance65Structural, Elastic, Electronic, and Magnetic Properties of Nd‐Doped NaScGe Half‐Heusler Compound by Ab‐Initio Method21Investigating the electronic structure, elastic, magnetic, and thermoelectric nature of NiV X Sc1−X Sb quaternary half-Heusler alloys12Solution-mixed PANI-coated Bi2Si2Te6 nanosheet-based composite film for flexible thermoelectric energy harvesting5Inverse‐Perovskite Ba 3 B O ( B = Si and Ge) as a High Performance Environmentally Benign Thermoelectric Material with Low Lattice Thermal Conductivity21Efficient stepwise carrier concentration optimization in Ge (1+ x )− y Sb y Te6Strong electron–phonon coupling and high lattice thermal conductivity in half-Heusler thermoelectric materials11Impact of Zn doping on the structural properties and thermoelectric performance of CuCr 0.85 Mg (0.15-x) Zn x O 2 (x ≤ 0.05) delafossite materials3Simultaneously Boosting Thermoelectric and Mechanical Properties of n-Type Mg3Sb1.5Bi0.5-Based Zintls through Energy-Band and Defect Engineering55Thermoelectric properties and thermal stability of Cd-doped Cu2Se thermoelectric materials12Systematic study of stable palladium and nickel based half-Heusler compounds for thermoelectric generators3Theoretical Maximum Thermoelectric Performance of p‐Type Hf‐ and Zr‐Doped NbFeSb Half‐Heusler Compounds2Influence of synthesis method and processing on the thermoelectric properties of CoSb3 skutterudites10Electro-optic and transport properties with stability parameters of cubic KMgX (X = P, As, Sb, and Bi) half-Heusler materials: Appropriate for green energy applications42Low-temperature thermoelectric materials and applications70DFT+U investigation of electronic, optical, and thermoelectric properties of YAuX (X=Si or Ge or Sn) half-Heusler alloys13High-entropy thermoelectric materials127AI-driven ensemble learning for accurate Seebeck coefficient prediction in half-Heusler compounds based on chemical formulas10Perspective on Crystal Structures, Synthetic Methods, and New Directions in Thermoelectric Materials23Thermoelectric properties of low thermal conductivity half Heuslers TiXPb (X = Ni, Pd, Pt): A first principles investigation10Strain induced ductile to brittle transitions of NiNbAl half-Heusler alloy12Full-shell d-orbitals of interstitial Ni and anomalous electrical transport in Ni-based half-Heusler thermoelectric semiconductors3Impact of the acoustic phonon bandwidth on three-phonon and four-phonon scattering in half-Heusler materials18Investigation on Lithiated Half‐Heusler Alloy CoMnSi for Lithium‐Ion Batteries6Possible reduction of lattice thermal conductivity in n-type CoSb2.875Te0.125 skutterudite originating from collaborative adjustment between Indium micro and α-WC nano inclusions2Effect on thermoelectric and mechanical properties of interstitial void filling by Cu in ZrNiSn HH alloy5Cu 2 Zn Si Te 4 : A potential thermoelectric material with promising electronic transport8Improved thermoelectric properties of n-type ZrNiCu0.05Sn by doping Y2O30First-principles study of structural, elastic, mechanical, electronic, magnetic, optical, and thermoelectric properties of CoFeTe half-heusler alloy18Exploring the thermoelectric performance of NiFeMnAl and ZnFeVAl as novel quaternary Heusler compounds5Vacancy-induced pseudogap formation in antiferromagnetic Cr 0.86 ZnSb2Half‐Heusler Alloy CoMnZ (Z = Sb/Sn): Electrode Material for Lithium‐Ion Batteries3Neutron scattering studies of complex lattice dynamics in energy materials4Role of Nb vacancies and Sn substitution in modulating the thermoelectric properties of NbCoSb8Electrical Conductivity Mechanisms of the Tm1 – xVxNiSb Semiconductor0Prodigious half Heusler alloys VIrX (X = As and Sb) for waste heat recovery systems and spintronics applications – unravelled by DFT10Structural, electronic, mechanical, optical and magnetic properties of RhNbZ (Z = Li, Si, As) Half-Heusler compounds: a first-principles study7The principles and recent advancements in self-powered wearable fiber sensors8Favorable Contact with Low Interfacial Resistance for n-Type TiCoSb-Based Thermoelectric Devices6Effect of Zr Doping on Thermoelectric Properties of n-Type HfPtPb Compounds0Anomalous thermal transport in semiconductors induced by aliovalent doping12Studies on a Single Thermoelectric Couple Fabricated From Half-Heusler Alloy1Piezoelectricity in half-Heusler narrow-bandgap semiconductors32Tunable Vacancy Order and Emergent Functionalities in Half‐Heusler Crystals14Thermal stress analysis of half-Heusler thermoelectric module by 3D finite element model and orthogonal tests3First-principles investigation of the structural, elastic, mechanical, electronic, magnetic and optical properties of the Half-Heusler CoVTe alloy17Lowering of lattice thermal conductivity through strain application on LiCaB half-heusler alloys in presence of aliovalent doping4Low-temperature thermo-transport and magnetic properties of HfNiGe alloy1Al 2 MnCu : A magnetically ordered member of the Heusler alloy family despite having a valence electron count of 246Pnictides: An Overview of Crystal Structures, Properties and Applications5High ZT value for PCdNa/SbCdNa superlattice induced by rattling Cd atoms0Exploring Phase Stability and Transport Properties of Emerging Thermoelectric Materials: Machine Learning and Experimental Insights6The single-phase composition and thermoelectric performance of defective half-Heusler Ti1-NiSb prepared by levitation melting1Ab initio study of MnScNbX (X = Al, Ga) quaternary Heusler alloys as promising thermoelectric materials2Vacancy order–disorder transition and band convergence in HfRu1.5Sb: A first-principles study0Understanding the Working Temperature-Dependent Interfacial Behaviors of Silver Soldering Half-Heusler Thermoelectric Module3Elucidation of electronic structure and thermoelectric properties of I–III–IV class half Heusler compounds with eight valence electron count1Role of Spin–Orbit Coupling in Modulating the Scattering Mechanisms and Transport Properties of NbFe-Based Half-Heusler Thermoelectric Materials5First-Principles Insights into the Effect of Ta Substitution on Structural, Electronic, Thermodynamic, and Thermoelectric Properties of GaNiSb Half-Heusler Alloys1Recent advances in MNiSn (M = Ti, Zr, Hf) and Hf-based Half-Heusler thermoelectric materials3High ZT and low lattice thermal conductivity in defective half-Heusler Zr 0.75 PtSb 1 − x Bi x alloys: promising for mid- and high-temperature thermoelectric applications2Recent progress in multiscale synergistic optimization of thermoelectric materials: from structural regulation to mechanistic innovation0Phonon Anharmonicity and Low Lattice Thermal Conductivity of Hf 2 FeNiSb 2 and Ti 2 FeNiSb 2 Double Half‐Heusler Alloys: Density Functional Theory and Machine Learning Study6Formation and structural disorder of the half-Heusler phase in the Dy–Ni–Sb ternary system0Band degeneracy and convergence in high performing thermoelectric materials17Disproportionate influence of site disorder on the evolution of magnetic phases in the anti-Heusler alloy Al 2 MnFe1Electronic, mechanical, dynamical, thermodynamic and thermoelectric study of ScNiSb Heusler-like alloy: planewave density functional theory approach0DFT study of structural, mechanical, electronic, and thermoelectric properties of YNbNi2X2 (X=Si or Ge) double half-Heusler alloy0Alloying-induced reduction of lattice thermal conductivity in TiFeTe1Conductive networks mediated by d–p orbital interaction in Ta–Ni co-substituted NbCoSb half-Heusler for improved thermoelectric performance0From synthesis to device: comparative study of Bi 2 Te 3 alloys prepared by direct melt and ball milling for printed thermoelectrics0High-power-density thermoelectric generator with Hf-free TiCoSb and ZrNiSn-based half-Heusler alloys0Strain induced improvement and consistency in thermoelectric performance of Mg and In co-doped LiCaB half-Heusler alloy1Discovery of Half-Heusler Alloys with Intrinsically Low Lattice Thermal Conductivity via the Equivalent Valence Electron Principle4Design Principles and Experimental Evidence for Semiconducting Heusler Thermoelectrics by Vacancy‐Filling0Advanced Half-Heusler IrZrSb compounds: unveiling electronic, optical, and tunable magnetic properties for spintronic and optoelectronic applications2Temperature-dependent band renormalization in half-Heusler M NiSn and M CoSb ( M = Ti, Zr, Hf)0Orbital-selective band engineering realizes high zT in p-type Ru2Ti1−xHfxSi full-Heusler thermoelectrics0First-principles calculations to investigate structural, electronic, mechanical, and optical properties of double half-Heusler alloys YNbPd2Sn2, and YNbPt2Sn22Cobalt‐Induced Strong Anharmonicity Coupled With Hierarchical Defect and Band Structure Engineering for Enhanced n‐ and p‐Type Thermoelectric Performance in ZrFe 0.5 Ni 0.5 Sb Double Half‐Heuslers2Accurate modeling of disorder in lattice thermal conductivity of NbFeSb1− x Bi x half-Heusler alloys: Site-specific substitution vs virtual crystal approximation0A comprehensive review of thermoelectric power generators: Advances in material discovery, structural optimization for performance enhancement, and service life stability0

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  2. Interfacial Decoration Tailoring the Thermoelectric Performance of TiCoNixSb Half-Heusler Compounds

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  6. Discovery of triple half-Heusler Mg 2 VNi 3 Sb 3 with low thermal conductivity

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  7. Grain boundary in NbCo(Pt)Sn half-Heusler compounds: Segregation and solute drag on grain boundary migration

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  11. Thermodynamic approaches to determine the vacancy concentration in defective Nb1-CoSb half-Heusler thermoelectric materials

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  12. Thermoelectric Properties of Ta-doped Zr0.6-xTi0.4TaxNiSn n-type Half-Heusler Materials

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  14. An Insight into the Electronic, Optical and Transport Properties of a Half Heusler Alloy: NiVSi

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  16. Evolution of a weak magnetic moment in the FeNbSb based HH materials via Ni doping at Fe site

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  26. Thermal-inert and ohmic-contact interface for high performance half-Heusler based thermoelectric generator

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  36. Improved Thermoelectric Performance of NbCoSb with Intrinsic Nb Vacancies and Ni-Doping-Induced Band Degeneracy

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  37. Advancing thermoelectrics by suppressing deep-level defects in Pb-doped AgCrSe2 alloys

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  39. Asymmetric Thermoelectric Performance Tuning in Low-Cost ZrFexNi1–xSb Double Half-Heusler Materials

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  40. Ni atomic disorder in ZrNiSn revealed by scanning transmission electron microscopy

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  41. Enhancement of thermoelectric performance in TiNiSbxSn1-x half-Heusler alloys

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  42. Recent trends of ternary, quaternary half-Heusler thermoelectric materials and contact resistance effect on their power output efficiency

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  43. Selective Scatterings of Phonons and Electrons in Defective Half‐Heusler Nb 1− δ CoSb for the Figure of Merit zT > 1

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  44. Thermoelectric Properties Investigation of Ni/Co Doped ZrCoBi Half-Heusler Alloy

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  45. Opening the Bandgap of Metallic Half‐Heuslers via the Introduction of d–d Orbital Interactions

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  46. ZrNiSn-based compounds with high thermoelectric performance and ultralow lattice thermal conductivity via introduction of multiscale scattering centers

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  47. Advancing Thermoelectric Materials: A Comprehensive Review Exploring the Significance of One-Dimensional Nano Structuring

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  48. Phonon engineering significantly reducing thermal conductivity of thermoelectric materials: a review

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  49. Chiral molecules and magnets as efficient thermoelectric converters

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  50. Electronic structure and elastic properties of double half-Heusler thermoelectric materials MgXY2Z2 (X=Zr/Hf, Y=Pd/Pt, Z=Bi/Sb)

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    А. Н. Филанович, Alexey V. Lukoyanov, А. А. Повзнер

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