Exploring the electronic fitness function, effective mass, elastic and transport properties of RhTiP Half-Heusler alloy

Bamgbose, M.K.; Adebambo, Paul O.; Solola, G.T.; Adebayo, G.A.

doi:10.1016/j.mseb.2020.114987

Cited by 11 publications

(9 citation statements)

References 43 publications

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“…The observed value of α is comparable with reported work for RhTiP and RhTiSb at a particular temperature range. 46,47…”

Section: Resultsmentioning

confidence: 99%

“…The calculation was performed by using the BoltzTraP2 code. 54 Although, preliminary work reported earlier [46][47][48] has not considered k l properly involving lattice vibrations and phonon dispersion. In order to determine the accurate value of ZT, k is essential.…”

Section: Computational Detailsmentioning

confidence: 99%

“…We noticed very few theoretical works on rhodium-based hH alloys. [46][47][48] However, there are no reports on the dynamical stability and k of these systems, which is very important in calculating ZT values and other features of the systems. Therefore, extensive investigation is necessary to understand the TE properties.…”

Section: Introductionmentioning

confidence: 99%

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Rhodium-based half-Heusler alloys as thermoelectric materials

Jaishi

Bati

Sharma

et al. 2022

Phys. Chem. Chem. Phys.

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“…The observed value of α is comparable with reported work for RhTiP and RhTiSb at a particular temperature range. 46,47…”

Section: Resultsmentioning

confidence: 99%

Section: Computational Detailsmentioning

confidence: 99%

See 1 more Smart Citation

Rhodium-based half-Heusler alloys as thermoelectric materials

Jaishi

Bati

Sharma

et al. 2022

Phys. Chem. Chem. Phys.

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show abstract

“…The values are comparable with the earlier works. [46][47][48] The band gap variation is small between the valence band maximum (VBM) and conduction band minimum (CBM). To note is, the band next to CBM moves close to it when P is replaced by As, Sb, or Bi (see Figure 5).…”

Section: Electronic Structurementioning

confidence: 99%

“…[43][44][45] From our literature survey, we noticed very few theoretical works on rhodium based hH alloys. [46][47][48] The reported work is preliminary and needs extensive investigation to understand the electronic, optical, mechanical, and thermoelectric properties of these materials. With this motivation, we explore RhTiZ (where Z are P, As, Sb, and Bi) which consists of two transition elements -Rh and Ti.…”

Section: Introductionmentioning

confidence: 99%

Rhodium based half-Heusler alloys as possible optoelectronic and thermoelectric materials

Jaishi¹,

Bati²,

Sharma³

et al. 2021

Preprint

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On the basis of density functional theory and semi-classical Boltzmann theory, we have investigated the structural, elastic, electronic, optical and thermoelectric properties of 18-valence electron count rhodium based half-Heusler alloys focusing on RhTiP, RhTiAs, RhTiSb, and RhTiBi. The absence of imaginary frequencies in the phonon dispersion curve for these system verifies that they are structurally stable. RhTiP is ductile in nature, while others are brittle. The alloys are found to be semiconducting with indirect band gaps ranging from 0.94 to 1.01 eV. Our calculations suggest these materials to have high absorption coefficient and optical conductivity in the ultraviolet as well as visible region. While considering thermoelectricity, we found that p-type doping is more favorable in improving the thermoelectric properties. The calculated values of power factor with p-type doping are comparable to some of the reported half-Heusler materials. The optimum figure of merit ZT is ∼ 1 for RhTiBi suggesting it as a promising candidate for thermoelectric applications while RhTiP, RhTiAs, and RhTiSb with optimum ZT values between 0.38 to 0.67 are possible candidates for use in thermoelectric devices.

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Computational Study of the Structural, Mechanical, Electronic, Half-Metallic, and Magnetic Properties of CoCrYZ (Z = In, Sn, Tl, and Pb) Quaternary Heusler Alloys

Huang

Wang

et al. 2022

J Supercond Nov Magn

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Exploring the electronic fitness function, effective mass, elastic and transport properties of RhTiP Half-Heusler alloy

Cited by 11 publications

References 43 publications

Rhodium-based half-Heusler alloys as thermoelectric materials

Rhodium-based half-Heusler alloys as thermoelectric materials

Rhodium based half-Heusler alloys as possible optoelectronic and thermoelectric materials

Computational Study of the Structural, Mechanical, Electronic, Half-Metallic, and Magnetic Properties of CoCrYZ (Z = In, Sn, Tl, and Pb) Quaternary Heusler Alloys

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