COMPUTATIONAL STUDY OF THERMOELECTRIC AND HALF METALLIC BEHAVIOR OF TI2VSN FULL HEUSLER
Abstract
This work examines the structural, mechanical, optoelectronic, and thermoelectric characteristics
of Ti2VSn by the use of WIEN2k computational code. The objective is to estimate their possible
contributions to upcoming thermoelectric and photovoltaic systems. The mechanical stability is
verified by elastic characteristics. An analysis of the electronic properties is conducted utilising
the GGA-PBE functional. The band gap of 0.412 were measured to be 0eV, respectively. The
analysed optical properties exhibit both substantial absorption and conductivity, together with
reduced reflectance and optical loss. These findings indicate a lower rate of recombination of
electron-hole pairs. At lower temperatures, the thermoelectric characteristics exhibit a significant
zero terminal temperature (ZT). Hence, these materials have the ability to effectively convert
thermal energy into practical electrical power and present a significant opportunity for
optoelectronic technology
Full-Text Access Notice
In accordance with the NERD Policy on promoting peer-reviewed publication, public access to the full text of a project, thesis or dissertation is restricted for three years, allowing the author and supervisors sufficient time to pursue peer-reviewed publication.
During this period, researchers with legitimate academic or research purposes may request authorisation directly from the author to enable NERD to release the indexed full texts of the work using the form below.