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RESEARCH PAPER · Journal of Applied Physics · 2016

Thermoelectric properties of half-Heusler topological insulators MPtBi (M = Sc, Y, La) induced by strain

Guangqian Ding, Guoying Gao, Yu Li, Yun Ni, K.L. Yao

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Thermoelectric properties of half-Heusler topological insulators MPtBi (M = Sc, Y, La) induced by strainOriginalElectronic structure and thermoelectric properties of Pb-based half-Heusler compounds: ABPb (A = Hf, Zr; B = Ni, Pd)50Ni substitution enhanced thermoelectric properties of ZrPd1−Ni Pb (x = 0,0.25,0.5,0.75,1)19First-principles study the elastic constant, electronic structure and thermoelectric properties of Zr1−xHfxNiPb (x = 0, 0.25, 0.5, 0.75, 1)17Quest of thermoelectricity in topological insulators: A density functional theory study10Emergence of thermoelectricity in Half Heusler topological semimetals with strain52Thermoelectric properties of topological insulator BaSn 221Magnetic and transport properties of half-Heuslers, RPdSb (R = Gd and Tb)12Ab Initio Prediction of the Structural, Electronic, Elastic, and Thermoelectric Properties of Half-Heusler Ternary Compounds TiIrX (X = As and Sb)35Thermoelectric and topological properties of half-Heusler compounds ZrIrX(As, Sb, Bi)29Electronic, phonon and superconducting properties of LaPtBi half-Heusler compound29Exploring the impact of hydrostatic pressure on the structural, electronic and mechanical properties of ZrNiPb half-Heusler alloy: A DFT approach4Two-dimensional MoS2-MoSe2 lateral superlattice with minimized lattice thermal conductivity45Computational mining of the pressure effect on thermodynamic and thermoelectric properties of cubic Ca 2 Si5Thermoelectric performance of monolayer Bi2Te2Se of ultra low lattice thermal conductivity19Prediction of the structure, magnetic properties, and martensitic transition of Mg-V-Ga Heusler alloys using first-principles calculations0High thermoelectric performance of topological half-Heusler compound LaPtBi achieved by hydrostatic pressure38Justification of crystal stability and origin of transport properties in ternary half-Heusler ScPtBi14High figure of merit of monolayer Sb2Te2Se of ultra low lattice thermal conductivity13Electronic, Elastic, Vibrational and Thermodynamic Properties of HfIrX (X = As, Sb and Bi) Compounds: Insights from DFT-Based Computer Simulation50A high-throughput descriptor for prediction of lattice thermal conductivity of half-Heusler compounds26Strain tunable pudding-mold-type band structure and thermoelectric properties of SnP3 monolayer24Electrical transport properties of half-heusler ScPdBi single crystals under extreme conditions4Vanadium effect on the electronic and thermoelectric properties of ScPtBi compound3Thermoelectric properties of half Heusler topological semi-metal LiAuTe8Band structure of topological insulator Li(Na)AuS0Theoretical investigation of electronic and vibrational properties of topological semimetal LaAuPb2Ab initio prediction of thermoelectric performance of monolayer BiSbTe312Effect of spin-orbital coupling on the electronic, mechanical, thermoelectric, and vibrational properties of XPtBi (X = Sc and Y): A first-principles study32Enhancement of thermoelectric performance of CH 3 NH 3 PbI 3 through strain driven topological phase transition and doping1Magnetotransport signatures of chiral magnetic anomaly in the half-Heusler phase ScPtBi17Strain effect on topological and thermoelectric properties of half Heusler compounds X PtS ( X = Sr, Ba)11Electronic and topological properties in heavy-element based Heusler compounds X$_2$RuPb (X=Sc,Y,La): first-principle method14Effect of hydrostatic pressure on thermoelectric performance of topological half-Heusler LuPdBi compound5Enhanced figure of merit of TaIrGe Half-Heusler alloy for thermoelectric applications under the effect of isotropic strain18Ab initio prediction of thermoelectric performance of monolayer transition-metal nitride halides MNBr (M = Zr, Hf)12DFT investigation on the electronic, optical and thermoelectric properties of novel half-Heusler compounds ScAuX (X = Si, Ge, Sn, Pb) for energy harvesting technologies34Ab initio prediction of enhanced thermoelectric performance from bulk to monolayer Sb2S2Te3First-principle investigation on the thermoelectric properties of XCoGe (X = V, Nb, and Ta) half-Heusler compounds26Structural, mechanical, thermodynamic, electronic and optical characteristics of LaPtBi half-Heusler compound from first principles analyses8Ab-initio study of mechanical and thermoelectric properties of topological semimetal: LaAuPb10Lattice Dynamic and Thermoelectric Properties of ScPtBi in Topological Phase: A DFT Approach0Topological phase transition associated with structural phase transition in ternary half Heusler compound LiAuBi3Synthesis, microstructure, and thermoelectric properties of Sb-Based high entropy alloys15Prediction of thermoelectric performance for monolayer HfNI1RPtBi: Magnetism and topology6First-principles insights into thermoelectric properties of topological nontrivial semimetal LiAuTe material4High performance solid-state thermoelectric energy conversion via inorganic metal halide perovskites under tailored mechanical deformation19Quadratic nodal point with large surface arc states in half-Heusler material ScBiPt6Spin thermoelectric effects of skyrmions in ferromagnetic topological insulators5Topological Phase Transition and Lattice Dynamical Properties of Half‐Heusler XPtBi (X = Gd, Nd)4Calculation of Structural, Electronic, Optical, and Thermoelectric Properties of XPdBi (X = La, Sc, Y): Materials for Optoelectronic Devices3Effective spin-orbital coupling determined topological properties of Half-Heusler compounds XYZ (X = Li, Na, K; Y = Ag, Au; Z = S, Se, Te)4First-principles characterization of structural, elastic, electronic phase transitions and magnetic properties of FeCrScZ (Z = Si, Ge) Heusler compounds under pressure6Thermodynamic analysis of topological insulator LaPtBi0New Recipe for Enhancing the Thermoelectric Performance in Topological Materials Carrying Single‐Pair Weyl Points Fermions and Phonons11Investigation of the electronic properties of a topological semimetal LaAuPb under uniaxial strain and hydrostatic pressure: A DFT approach5Ideal quadratic nodal point in half-Heusler semimetal LaPtBi2Exploring the electronic, magnetic and thermoelectric properties of TbPtBi half-Heusler: DFT study3Bismuth-based ternary chalcogenides Pt3Bi4X9 (X = S, Se) as promising thermoelectric materials5Investigating the Structural, Elastic, Pressure-Dependent Electronic and Optical Properties of Antiferromagnetic HoPdBi and HoPtBi Alloys3Effect of strain on the stability, electronic structure and thermoelectric characteristics of (PdXSn, X = Zr, Hf) half-Heusler compounds: a first-principles study5Composition-dependent structural, mechanical, electronic, phonon and optical properties of XPtBi (X= La, Sc, Y, Lu) half-Heusler alloys: a first-principles study0

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  1. Electronic structure and thermoelectric properties of Pb-based half-Heusler compounds: ABPb (A = Hf, Zr; B = Ni, Pd)

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  2. Ni substitution enhanced thermoelectric properties of ZrPd1−Ni Pb (x = 0,0.25,0.5,0.75,1)

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  3. First-principles study the elastic constant, electronic structure and thermoelectric properties of Zr1−xHfxNiPb (x = 0, 0.25, 0.5, 0.75, 1)

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  4. Quest of thermoelectricity in topological insulators: A density functional theory study

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  5. Emergence of thermoelectricity in Half Heusler topological semimetals with strain

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  6. Thermoelectric properties of topological insulator BaSn 2

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  7. Magnetic and transport properties of half-Heuslers, RPdSb (R = Gd and Tb)

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  8. Ab Initio Prediction of the Structural, Electronic, Elastic, and Thermoelectric Properties of Half-Heusler Ternary Compounds TiIrX (X = As and Sb)

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  9. Thermoelectric and topological properties of half-Heusler compounds ZrIrX(As, Sb, Bi)

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  10. Electronic, phonon and superconducting properties of LaPtBi half-Heusler compound

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  11. Exploring the impact of hydrostatic pressure on the structural, electronic and mechanical properties of ZrNiPb half-Heusler alloy: A DFT approach

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  12. Two-dimensional MoS2-MoSe2 lateral superlattice with minimized lattice thermal conductivity

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  13. Computational mining of the pressure effect on thermodynamic and thermoelectric properties of cubic Ca 2 Si

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  14. Thermoelectric performance of monolayer Bi2Te2Se of ultra low lattice thermal conductivity

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  15. Prediction of the structure, magnetic properties, and martensitic transition of Mg-V-Ga Heusler alloys using first-principles calculations

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  16. High thermoelectric performance of topological half-Heusler compound LaPtBi achieved by hydrostatic pressure

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  17. Justification of crystal stability and origin of transport properties in ternary half-Heusler ScPtBi

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  18. High figure of merit of monolayer Sb2Te2Se of ultra low lattice thermal conductivity

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  19. Electronic, Elastic, Vibrational and Thermodynamic Properties of HfIrX (X = As, Sb and Bi) Compounds: Insights from DFT-Based Computer Simulation

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  20. A high-throughput descriptor for prediction of lattice thermal conductivity of half-Heusler compounds

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  21. Strain tunable pudding-mold-type band structure and thermoelectric properties of SnP3 monolayer

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  22. Electrical transport properties of half-heusler ScPdBi single crystals under extreme conditions

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  23. Vanadium effect on the electronic and thermoelectric properties of ScPtBi compound

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  24. Thermoelectric properties of half Heusler topological semi-metal LiAuTe

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  29. Enhancement of thermoelectric performance of CH 3 NH 3 PbI 3 through strain driven topological phase transition and doping

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  30. Magnetotransport signatures of chiral magnetic anomaly in the half-Heusler phase ScPtBi

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  38. First-principle investigation on the thermoelectric properties of XCoGe (X = V, Nb, and Ta) half-Heusler compounds

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  39. Structural, mechanical, thermodynamic, electronic and optical characteristics of LaPtBi half-Heusler compound from first principles analyses

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  41. Lattice Dynamic and Thermoelectric Properties of ScPtBi in Topological Phase: A DFT Approach

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  42. Topological phase transition associated with structural phase transition in ternary half Heusler compound LiAuBi

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  48. Quadratic nodal point with large surface arc states in half-Heusler material ScBiPt

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  49. Spin thermoelectric effects of skyrmions in ferromagnetic topological insulators

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  50. Topological Phase Transition and Lattice Dynamical Properties of Half‐Heusler XPtBi (X = Gd, Nd)

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