Open AccessFP-LAPW calculations on electronic and thermoelectric properties of Mn2CoCr Heusler compound
Author(s) -
Vipul Srivastava,
Navdeep Kaur,
Sajad Ahmad Dar
Publication year - 2020
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/1531/1/012031
Subject(s) - heusler compound , thermoelectric effect , materials science , condensed matter physics , electronic structure , thermodynamics , physics
Heusler compounds have been remarkable among the materials due to their fascinating properties. These materials are also important in terms of applications in thermoelectric device formation. The Mn 2 CoCr is one of the Heusler compounds investigated in reference to its band structure and thermo-electric properties by using density functional theory. Mn 2 CoCr crystallizes in Fm-3m (space group 225) phase and ferromagnetically stable under ambient conditions. We have calculated its bulk modulus, first order pressure derivative of bulk modulus, band structure, density of states, Seebeck coefficient and power factor.