Electronic structure and thermoelectric properties of boron doped Mg2Si

Electronic structure calculations and measurements of the thermoelectric properties of boron (B)-doped magnesium silicide (Mg2Si) have been performed. The calculations predict that the preferential B-doping site is an interstitial site of Mg2Si, leading to increase electron carriers. As predicted by...

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Bibliographic Details
Published inScripta materialia Vol. 123; pp. 59 - 63
Main Authors Kubouchi, M., Hayashi, K., Miyazaki, Y.
Format Journal Article
LanguageEnglish
Published Elsevier Ltd 01.10.2016
Subjects
Boron doping
Electrical resistivity
Electronic structure
Intermetallics
Interstitial site
Magnesium compounds
Mathematical analysis
Mg2Si
Semiconductors
Silicides
Thermoelectric properties
Thermoelectricity
Mg2Si
Electronic structure
Interstitial site
Boron doping
Thermoelectric properties
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Summary:Electronic structure calculations and measurements of the thermoelectric properties of boron (B)-doped magnesium silicide (Mg2Si) have been performed. The calculations predict that the preferential B-doping site is an interstitial site of Mg2Si, leading to increase electron carriers. As predicted by the calculations, the prepared B-doped and non-doped polycrystalline Mg2Si samples exhibit an n-type electrical transport property. B-doping enhances the electrical conductivity and slightly lowers the absolute value of the Seebeck coefficient of Mg2Si, whereas it does not affect the thermal conductivity. Reflecting the enhancement of electrical conductivity, the dimensionless figure of merit, ZT, of Mg2Si is improved by the B-doping. [Display omitted]
Bibliography:ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
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ISSN:1359-6462
1872-8456
DOI:10.1016/j.scriptamat.2016.06.001