EXPLORING THE ELECTRONIC, MAGNETIC, OPTICAL AND THERMOELECTRIC - Haleem Awan, Mazhar
40,99 €
inkl. MwSt.
Versandkostenfrei*
Versandfertig in 6-10 Tagen
payback
20 °P sammeln
  • Broschiertes Buch

The study investigates the structural, magnetic, electronic, optical and thermoelectric properties of MST (half-semi metallic) compound under strain engineering. Experimentally, MST is metallic nature with zero gap, low thermal conductivity, and minute thermoelectric efficiency (ZT ~ 0.01 at 300K). By applying biaxial strain (tensile and compressive), the gap increased, showing a shift from -4% to +15% with SCF and -3% to +10% with GGA and GGA + TB-mBJ methods. At 4% tensile strain, MST exhibited half-semi metallic behavior with a significant gap (1.24 eV) at a high-symmetry point. Hybrid +…mehr

Andere Kunden interessierten sich auch für
Produktbeschreibung
The study investigates the structural, magnetic, electronic, optical and thermoelectric properties of MST (half-semi metallic) compound under strain engineering. Experimentally, MST is metallic nature with zero gap, low thermal conductivity, and minute thermoelectric efficiency (ZT ~ 0.01 at 300K). By applying biaxial strain (tensile and compressive), the gap increased, showing a shift from -4% to +15% with SCF and -3% to +10% with GGA and GGA + TB-mBJ methods. At 4% tensile strain, MST exhibited half-semi metallic behavior with a significant gap (1.24 eV) at a high-symmetry point. Hybrid + SOC calculations showed enhanced thermoelectric performance, with ZT reaching 0.716 for p-type and 0.723 for n-type, suggesting MST potential for thermoelectric applications.
Autorenporträt
Mazhar Haleem Awan holds a Master of Philosophy from AUST - Abbottabad University of Science and Technology. His field of Research is Computational Physicist. The author posesses the following skill: WIEN2k, Quantum Espresso, Burai, VASP, DFT and Thermoelectric Materials.