Thermoelectric properties of SbNCa3 and BiNCa3 for thermoelectric devices and alternative energy applications

Bılal, Muhammad; Khan, Basit; Aliabad, H. A. Rahnamaye; Maqbool, Muhammad; Asadabadi, S. Jalai; Ahmad, Iftikhar

doi:10.1016/j.cpc.2014.02.001

Cited by 74 publications

(23 citation statements)

References 39 publications

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“…One more important factor that have thermal effect is ZT that tells about the thermal efficiency, calculated from the relation ZT=σS 2 K/T (where the symbols have their usual meanings) [40] shown in figure 5(d). The maximum value of ZT is 0.58 at 40 GPa.…”

Section: Thermoelectric Propertiesmentioning

confidence: 99%

Investigation of LaAlO₃ pervoskite compound for optoelectronic and thermoelectric devices under pressure

Yaseen

Ashfaq

Akhtar

et al. 2020

Mater. Res. Express

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The electronic, optical and thermoelectric properties of LaAlO 3 are studied under different pressure ranges (0-40 GPa) by using the full potential linear augmented plane wave method (FP-LAW). Calculations are done by Perdew-Burke-Ernzerhof generalized gradient approximation (PBEsol-GGA) by utilizing Wien 2k code. It was observed that with the increase of pressure band gap increased and the nature of band gap transform from indirect to direct. In Optical properties, optical conductivity, refractive index, absorption coefficient, and dielectric function are calculated at different pressures. Thermoelectric properties have been studied at temperature (150-800 K) and pressure (0-40 GPa) by using Boltz Trap code. At 800 K the values of power factor were 6.831 W K −2 . cm. s and 22.13 W K −2 . cm. s, respectively. Figure of merit was achieved up to 0.6. Results revealed that LaAlO 3 is a suitable candidate for optoelectronic and thermoelectric devices.

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Section: Thermoelectric Propertiesmentioning

confidence: 99%

Investigation of LaAlO₃ pervoskite compound for optoelectronic and thermoelectric devices under pressure

Yaseen

Ashfaq

Akhtar

et al. 2020

Mater. Res. Express

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“…The Seebeck coefficient (S.C) is defined in units of Volt per Kelvin [57]. The free electrons move from the higher temperature location towards the lower temperature location.…”

Section: Transport Propertiesmentioning

confidence: 99%

Structural, electronic, optical, vibrational and transport properties of CuBX₂ (X = S, Se, Te) chalcopyrites

et al. 2016

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The structural, electronic and optical properties of CuBX 2 (X=S,Se,Te) chalcopyrite semiconductors have been studied using the full potential (linearized) augmented plane wave (FP(L)APW) method based on the density functional theory (DFT) within the Yukawa Screened-PBE0 (YS-PBE0) hybrid function as implemented in the WIEN2k. We have found that our calculated structural and electronic parameters such as lattice parameter, tetragonal ratio, anion displacement and energy band gap are in very good agreement with previous experimental results. We have also presented real and imaginary part of the dielectric function, refractive index and absorption coefficients to describe optical properties of calculated chalcopyrite semiconductors. Furthermore, the phonon dispersion curves and corresponding density of states have been studied by using a linear response approach based on the density functional perturbation theory implemented in the Quantum Espresso code. Finally, the transport properties such as Seebeck coefficient, thermal and electrical conductivity and the figure of merit for these materials have been calculated using the semi-classical Boltzmann theory as implemented in the BoltzTraP code.

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“…Materials with small thermal conductivity are required to make thermoelectric generators, as we need to maintain temperature gradient across the material. Figure 3 presents electronic thermal conductivity for When chemical potential is negligibly small then repulsive or attractive force is also small resulting less vibrations and hence small conductivity [28]. The figure shows that AlCNi 3 and AlNSc 3 have the smallest electronic thermal conductivities.…”

Section: Electronic Thermal Conductivitymentioning

confidence: 94%

DFT and post-DFT studies of metallic MXY3-type compounds for low temperature TE applications

Bilal

Saifullah

Ahmad

et al. 2016

Solid State Communications

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Thermoelectric properties of SbNCa3 and BiNCa3 for thermoelectric devices and alternative energy applications

Cited by 74 publications

References 39 publications

Investigation of LaAlO₃ pervoskite compound for optoelectronic and thermoelectric devices under pressure

Investigation of LaAlO₃ pervoskite compound for optoelectronic and thermoelectric devices under pressure

Structural, electronic, optical, vibrational and transport properties of CuBX₂ (X = S, Se, Te) chalcopyrites

DFT and post-DFT studies of metallic MXY3-type compounds for low temperature TE applications

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Thermoelectric properties of SbNCa3 and BiNCa3 for thermoelectric devices and alternative energy applications

Cited by 74 publications

References 39 publications

Investigation of LaAlO3 pervoskite compound for optoelectronic and thermoelectric devices under pressure

Investigation of LaAlO3 pervoskite compound for optoelectronic and thermoelectric devices under pressure

Structural, electronic, optical, vibrational and transport properties of CuBX2 (X = S, Se, Te) chalcopyrites

DFT and post-DFT studies of metallic MXY3-type compounds for low temperature TE applications

Contact Info

Product

Resources

About

Investigation of LaAlO₃ pervoskite compound for optoelectronic and thermoelectric devices under pressure

Investigation of LaAlO₃ pervoskite compound for optoelectronic and thermoelectric devices under pressure

Structural, electronic, optical, vibrational and transport properties of CuBX₂ (X = S, Se, Te) chalcopyrites