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Nano-domains in thermoelectric Half-Heusler CoTi_(0.5)Sc_(0.5)Sb alloys

Title data

Miranda Mena, Joaquin ; Schoberth, Heiko G. ; Gruhn, Thomas ; Emmerich, Heike:
Nano-domains in thermoelectric Half-Heusler CoTi_(0.5)Sc_(0.5)Sb alloys.
In: 2014 MRS Fall Meeting : Symposium S/W/CC – Advanced Materials for Photovoltaic, Fuel Cell and Electrolyzer, and Thermoelectric Energy Conversion. - s.l. : MRS Online Proceedings Library Archive , 2015 . - (MRS Proceedings ; 1735 )
DOI: https://doi.org/10.1557/opl.2015.295

Official URL: Volltext

Abstract in another language

Nano-phase separation is of great relevance for functional materials like thermoelectrics. Indeed, nano-domains in CoSb-based half-Heusler thermoelectrics have been found to reduce the lattice heat conductivity, which increases the figure of merit. Within this context, we studied the configurational energy in the alloy CoTi0.5Sc0.5Sb by means of first-principle calculations. We consider structures formed by Ti (Sc) nano-domains. In recent publications we have showed that these domains are the most stable atomic configurations. In this work we found that for a given concentration the electronic density of states is considerably modified as the volume of the domains are increased.

Further data

Item Type: Article in a book
Refereed: Yes
Institutions of the University: Faculties > Faculty of Engineering Science > Chair Material and Process Simulations
Faculties > Faculty of Engineering Science > Former Professors > Chair Material and Process Simulations - Univ.-Prof. Dr.-Ing. Heike Emmerich
Faculties
Faculties > Faculty of Engineering Science
Faculties > Faculty of Engineering Science > Former Professors
Result of work at the UBT: Yes
DDC Subjects: 500 Science > 530 Physics
500 Science > 540 Chemistry
600 Technology, medicine, applied sciences > 620 Engineering
Date Deposited: 14 Mar 2016 10:08
Last Modified: 08 May 2020 09:45
URI: https://eref.uni-bayreuth.de/id/eprint/31726