Origin of enhanced thermoelectric properties of doped CrSi2

Pandey, Tribhuwan and Singh, Abhishek K (2014) Origin of enhanced thermoelectric properties of doped CrSi2. In: RSC ADVANCES, 4 (7). pp. 3482-3486.

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Abstract

Using first principles density functional theory, we report for CrSi2, a linear relationship between thermodynamic charge state transition levels of defects and maxima of thermopower T-m, thus proposing a unique way of tuning thermoelectric properties. We show for doped CrSi2 that the peak of thermopower occurs at the temperature which corresponds to the position of the defect transition level. Therefore, by modifying the defect transition level, a thermoelectric material with a given operational temperature can be designed.

Item Type:	Journal Article
Publication:	RSC ADVANCES
Publisher:	ROYAL SOC CHEMISTRY
Additional Information:	Copyright for this article belongs to ROYAL SOC CHEMISTRY, ENGLAND
Department/Centre:	Division of Chemical Sciences > Materials Research Centre
Date Deposited:	28 Jan 2014 07:13
Last Modified:	28 Jan 2014 07:13
URI:	http://eprints.iisc.ac.in/id/eprint/48258

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