Nonmetallic behaviour in half-Heusler phases YPdSb, YPtSb and LuPtSb

Nowak, B.; Kaczorowski, D.

doi:10.1016/j.intermet.2013.04.001

Cited by 17 publications

(32 citation statements)

References 39 publications

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“…. The measured shifts and quadrupole parameters including NMR data for YPdSb and YPtSb from literature are listed in Table for comparison.…”

Section: Resultsmentioning

confidence: 99%

“…Recently, cubic Yb(Sc,Y)-Pd(Pt)-Sb(Bi) and hexagonal Ce-Pd(Pt)-Sb half-Heusler compounds have been successfully characterized by solid state NMR [8][9][10][11][12]. However, the intrinsic magnetic response of band structural characteristics was frequently masked by localized magnetism from R 3+ ions.…”

Section: Introductionmentioning

confidence: 99%

“…[12]. The measured shifts and quadrupole parameters including NMR data for YPdSb and YPtSb from literature [11] are listed in Table 1 for comparison. 209 Bi NMR isotropic shifts ( 209 K iso ) of YPdBi and YPtBi were further examined at variable temperatures.…”

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confidence: 99%

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NMR investigation of atomic and electronic structures of half-Heusler topologically nontrivial semimetals

Shi

Hou

et al. 2014

Phys. Status Solidi B

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“…. The measured shifts and quadrupole parameters including NMR data for YPdSb and YPtSb from literature are listed in Table for comparison.…”

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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NMR investigation of atomic and electronic structures of half-Heusler topologically nontrivial semimetals

Shi

Hou

et al. 2014

Phys. Status Solidi B

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“…This finding indicates that strain may cause a transition between direct and indirect band gap in ScPtSb. Analogous situation probably occurs for YPtSb that exhibits a band structure very similar to that of ScPtSb [11], and its electrical transport behavior is strongly sample dependent [25]. Regardless the differences in the shapes of CBM within the ScMSb series, rather high effective masses of the n-type carriers disqualify all three compounds as n-type thermoelectric materials [26].…”

Section: Resultsmentioning

confidence: 86%

Thermoelectric performance of p-type half-Heusler alloys ScMSb (M = Ni, Pd, Pt) by ab initio calculations

Winiarski,

Bilinska,

Ciesielski

et al. 2018

Preprint

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Structural, electronic, and transport properties of ScNiSb, ScPdSb, and ScPtSb were investigated from first principles. Electronic band structures derived within the fully relativistic MBJLDA approach were compared with those obtained from the standard GGA calculations. All the compounds studied exhibit indirect narrow band gaps (0.24-0.63 eV). The effective masses of hole-like carriers are relatively small (0.27-0.36), and decrease with an increasing atomic number of the transition metal component. The carrier relaxation time, required for realistic calculations of the electrical conductivity, was approximated within the deformation potential theory. The GGA approach yielded overestimated transport characteristics with respect to those derived within the MBJLDA analysis. The largest power factor of 4-6 mWK −2 m −1 ) at high temperatures was obtained for ScPtSb. This value is comparable with those observed experimentally for Fe-Nb-Sb half-Heusler alloys, and hence makes ScPtSb a very good candidate material for thermoelectric applications.

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“…In recent years, half-Heusler compounds with a narrow band gap and a valence electron number of 18 per unit cell have received a great deal of attention due to their variety and their interesting properties, such as thermoelectrics, thermal, optoelectronics, and spintronics [2][3][4][5][6][7][8][9][10][11]. Among the numerous reported studies on the half-Heusler compounds, we mention as examples, the thermodynamic properties of TiNiSn compound [1], the macroscopic and microscopic properties of LuPtSb compound [12], the elastic, mechanical, phonon and thermodynamic properties of LuAuPb and YAuPb compound [13], the effect of pressure on the structural, electronic, elastic, vibration and optical properties of ScXSb (X=Ni, Pd, Pt) compounds [14] and the structural, electronic, thermodynamic and optical properties of XPtSb (X=Lu, Sc) compounds [15].…”

Section: Introductionmentioning

confidence: 99%

Structural, elastic, electronic and optical properties of the half-Heusler ScPtSb and YPtSb compounds under pressure

Radjai¹,

Bouhemadou²,

Maouche³

2021

Condens. Matter Phys.

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First-principles calculations using the plane-wave pseudopotential method within the generalized gradient approximation method were performed to study the pressure dependence of the structural, elastic, electronic and optical properties for the half-Heusler compounds ScPtSb and YPtSb in a cubic MgAgAs-type structure. The calculations were performed with the inclusion of spin-orbit coupling. The calculated equilibrium lattice parameters are in good agreement with the available experimental and theoretical values. The crystal rigidity and mechanical stability were discussed using the elastic constants and related parameters, namely bulk modulus, shear modulus, Debye temperature, Poisson's coefficient, Young's modulus and isotropic sound velocities. The calculated electronic band structures show that ScPtSb has an indirect gap of Γ-X type, whereas YPtSb has a direct band gap of Γ-Γ type. Furthermore, the effect of pressure on the optical properties, namely the dielectric function, absorption spectrum, refractive index, extinction coefficient, reflectivity and energy-loss spectrum is investigated for both compounds ScPtSb and YPtSb.

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Nonmetallic behaviour in half-Heusler phases YPdSb, YPtSb and LuPtSb

Cited by 17 publications

References 39 publications

NMR investigation of atomic and electronic structures of half-Heusler topologically nontrivial semimetals

NMR investigation of atomic and electronic structures of half-Heusler topologically nontrivial semimetals

Thermoelectric performance of p-type half-Heusler alloys ScMSb (M = Ni, Pd, Pt) by ab initio calculations

Structural, elastic, electronic and optical properties of the half-Heusler ScPtSb and YPtSb compounds under pressure

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