Towards band gap engineering in skutterudites: The role of X4 rings geometry in CoSb3-RhSb3 system

Koleżyński, Andrzej; Szczypka, Wojciech

doi:10.1016/j.jallcom.2016.08.235

Cited by 11 publications

(3 citation statements)

References 34 publications

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“…Results obtained employing PBE-GGA potential indicated reasonable agreement with the experiment when comparing bulk moduli and cohesive energies. In the same work, as well as in many other papers [3,4,5] authors indicate substantial sensitivity of results of electronic structure calculations due to subtle changes in skutterudite structure (mainly related to positional parameters of Sb atoms). The problem of skutterudite band gap estimation was also examined by Khan et al [6], who indicated modified Becke-Johnson potential [7] as an efficient potential for electronic structure calculations in skutterudites, especially when implemented in a non-regular form.…”

Section: Introductionmentioning

confidence: 61%

HPHT synthesis of highly doped InxCo4Sb12 – Experimental and theoretical study

Leszczyński

Szczypka

Candolfi

et al. 2017

Journal of Alloys and Compounds

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Section: Introductionmentioning

confidence: 61%

HPHT synthesis of highly doped InxCo4Sb12 – Experimental and theoretical study

Leszczyński

Szczypka

Candolfi

et al. 2017

Journal of Alloys and Compounds

Self Cite

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“…Combined with the strong phonon scattering induced by doping/filling, the decoupling of thermal and electronic transport parameters is realized, which greatly improves the TE properties of CoSb 3based materials. [56][57][58][59][60][61][62][63][64][65] [46,47,[56][57][58][59][62][63][64][65] reported in recent years by the energy band engineering.…”

Section: Energy Band Engineeringmentioning

confidence: 99%

“…In recent years, energy band convergence has also been applied to CoSb 3 -based materials, [56][57][58][59][60][61][62][63][64][65] which has greatly improved their thermoelectric properties. Tang et al [59] proved that the first conduction band and the high-energy second 107303-2 conduction band of the CoSb 3 and doped samples (such as Yb-filled skutterudite) were degenerated at high temperatures through theoretical calculation and experimental investigation.…”

Section: Energy Band Convergencementioning

confidence: 99%

Energy band and charge-carrier engineering in skutterudite thermoelectric materials

Liu¹,

Yang²,

Wang³

et al. 2022

Chinese Phys. B

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The binary CoSb3 skutterudite thermoelectric material has high thermal conductivity due to the covalent bond between Co and Sb, and the thermoelectric figure of merit ZT is very low. The thermal conductivity of CoSb3 materials can be significantly reduced through phonon engineering, such as low-dimensional structure, the introduction of nano second phases, nanointerfaces or nanopores, which greatly improves their ZT values. The phonon engineering can optimize significantly the thermal transport properties of CoSb3-based materials. However, the improvement of the electronic transport properties is not obvious, or even worse. Energy band and charge-carrier engineering can significantly improve the electronic transport properties of CoSb3-based materials while optimizing the thermal transport properties. Therefore, the decoupling of thermal and electronic transport properties of CoSb3-based materials can be realized by energy band and charge-carrier engineering. This review summarizes some methods of optimizing synergistically the electronic and thermal transport properties of CoSb3 materials through the energy band and charge-carrier engineering strategies. Energy band engineering strategies include band convergence or resonant energy levels caused by doping/filling. The charge-carrier engineering strategy includes the optimization of carrier concentration and mobility caused by doping/filling, forming modulation doped structures or introducing nano second phase. These strategies are effective means to improve the performance of thermoelectric materials and provide new research ideas of the development of high-efficiency thermoelectric materials.

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Optoelectronic and thermoelectric response of Ca5Al2Sb6 to shift of band gap from direct to indirect

Aliabad

Yalcin

2017

J Mater Sci: Mater Electron

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Towards band gap engineering in skutterudites: The role of X4 rings geometry in CoSb3-RhSb3 system

Cited by 11 publications

References 34 publications

HPHT synthesis of highly doped InxCo4Sb12 – Experimental and theoretical study

HPHT synthesis of highly doped InxCo4Sb12 – Experimental and theoretical study

Energy band and charge-carrier engineering in skutterudite thermoelectric materials

Optoelectronic and thermoelectric response of Ca5Al2Sb6 to shift of band gap from direct to indirect

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