Magnetic and Thermoelectric Properties of Mn2CoGe and Mn2CoSb

Heusler compounds stand as a versatile class of intermetallics with extraordinary electrical, magnetic, and thermoelectric properties that render them indispensable in various applications. This study delves deeply into the mechanical, dynamical, electronic, magnetic, and transport characteristics of Mn\(_2\)CoGe and Mn\(_2\)CoSb compounds. Both compounds display mechanical stability, ionic bonding, and a ductile nature. The positive phonon frequencies further affirm their dynamical stability. Moving to the electronic structure calculations, our assessments encompass magnetic moment, band structure, and density of states, highlighting the distinctive half-metallic characteristics inherent in these compounds. Transport coefficient calculations for both spin channels demonstrate the compounds’ relative constancy in terms of Seebeck coefficient and electrical conductivity despite temperature fluctuations. The observed spin polarisation and thermoelectric response underscore the promising suitability of these compounds for future applications in spintronics and thermoelectrics. While the achieved maximum thermoelectric figure of merit value of 0.2 holds potential for their thermoelectric capabilities, further experimental validations are imperative for a comprehensive evaluation.