Enhancement of thermoelectric properties of p-type BiCuSO through strain-induced electronic structures modification

Abstract The narrow-gap semiconductor α-SrSi2 is a promising candidate for low-temperature thermoelectric applications with low environmental load. The only experimental report in which α-SrSi2 is reported to have n-type conductivity is one where it had been doped with yttrium. To further clarify the effects of impurities, theoretical studies are needed. The α-SrSi2 has a very narrow band gap (~13–35 meV), causing difficulties in the accurate calculation of the electronic and thermoelectric properties. In our previous study, we overcame this problem for undoped α-SrSi2 using hybrid functional theory. We used this method in this study to investigate the structures, energetic stabilities, electronic structures, and thermoelectric properties of Y-doped α-SrSi2. The results indicate that substitution at Sr-sites is energetically about two times more stable than that at Si-sites. Furthermore, negative Seebeck coefficients were obtained at low temperatures and reverted to p-type with increasing temperature, which is consistent with the experimental results.

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First-principles calculations to investigate mechanical, optoelectronic and thermoelectric properties of half-Heusler p-type semiconductor BaAgP

Results in Physics ◽

10.1016/j.rinp.2021.104068 ◽

2021 ◽

pp. 104068

Author(s):

F. Parvin ◽

M.A. Hossain ◽

I. Ahmed ◽

K. Akter ◽

A.K.M.A. Islam

Keyword(s):

Thermoelectric Properties ◽

First Principles ◽

First Principles Calculations ◽

Type Semiconductor ◽

P Type

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Enhancing thermoelectric properties of p-type CoSb3 skutterudite by Fe doping

Materials Science in Semiconductor Processing ◽

10.1016/j.mssp.2021.105721 ◽

2021 ◽

Vol 127 ◽

pp. 105721

Author(s):

Suchitra Yadav ◽

Sujeet Chaudhary ◽

Dinesh K. Pandya

Keyword(s):

Thermoelectric Properties ◽

Fe Doping ◽

P Type

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Giant Tuning of Electronic and Thermoelectric Properties by Epitaxial Strain in p-Type Sr-Doped LaCrO3 Transparent Thin Films

ACS Applied Electronic Materials ◽

10.1021/acsaelm.1c00425 ◽

2021 ◽

Author(s):

Dong Han ◽

Rahma Moalla ◽

Ignasi Fina ◽

Valentina M. Giordano ◽

Marc d’Esperonnat ◽

...

Keyword(s):

Thin Films ◽

Thermoelectric Properties ◽

Epitaxial Strain ◽

P Type

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Optimization of the Thermoelectric Properties of p-Type Mg2–yLiyGe1–xSnx and Mg2–yLiyGe1–zSiz with x, z = 0.1 and 0.2

ACS Applied Energy Materials ◽

10.1021/acsaem.1c00172 ◽

2021 ◽

Author(s):

Vidushi Galwadu Arachchige ◽

Hasbuna Kamila ◽

Aryan Sankhla ◽

Léo Millerand ◽

Silvana Tumminello ◽

...

Keyword(s):

Thermoelectric Properties ◽

P Type

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Mechanosynthesis and Thermoelectric Properties of Fe, Zn, and Cd-Doped P-Type Tetrahedrite: Cu12-xMxSb4S13

Materials ◽

10.3390/ma14133448 ◽

2021 ◽

Vol 14 (13) ◽

pp. 3448

Author(s):

Francisco Arturo López Cota ◽

José Alonso Díaz-Guillén ◽

Oscar Juan Dura ◽

Marco Antonio López de la Torre ◽

Joelis Rodríguez-Hernández ◽

...

Keyword(s):

Thermoelectric Properties ◽

Figure Of Merit ◽

Powder Processing ◽

High Energy ◽

Secondary Phases ◽

Ambient Conditions ◽

Cadmium Sulfate ◽

Electrical Conductivities ◽

Compositional Changes ◽

P Type

This contribution deals with the mechanochemical synthesis, characterization, and thermoelectric properties of tetrahedrite-based materials, Cu12-xMxSb4S13 (M = Fe2+, Zn2+, Cd2+; x = 0, 1.5, 2). High-energy mechanical milling allows obtaining pristine and substituted tetrahedrites, after short milling under ambient conditions, of stoichiometric mixtures of the corresponding commercially available binary sulfides, i.e., Cu2S, CuS, Sb2S3, and MS (M = Fe2+, Zn2+, Cd2+). All the target materials but those containing Cd were obtained as single-phase products; some admixture of a hydrated cadmium sulfate was also identified by XRD as a by-product when synthesizing Cu10Cd2Sb4S13. The as-obtained products were thermally stable when firing in argon up to a temperature of 350–400 °C. Overall, the substitution of Cu(II) by Fe(II), Zn(II), or Cd(II) reduces tetrahedrites’ thermal and electrical conductivities but increases the Seebeck coefficient. Unfortunately, the values of the thermoelectric figure of merit obtained in this study are in general lower than those found in the literature for similar samples obtained by other powder processing methods; slight compositional changes, undetected secondary phases, and/or deficient sintering might account for some of these discrepancies.

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