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EXPLORING THE ELECTRONIC, MAGNETIC, OPTICAL AND THERMOELECTRIC

By Mazhar Haleem Awan

EXPLORING THE ELECTRONIC, MAGNETIC, OPTICAL AND THERMOELECTRIC Natural Sciences

EXPLORING THE ELECTRONIC, MAGNETIC, OPTICAL AND THERMOELECTRIC

0 - Default Title
Description
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.
Product details
Binding:
Paperback
Number of Pages:
100
Release Date:
2025-06-23
Publication Date:
2025-06-23
Publisher:
LAP LAMBERT Academic Publishing
Languages:
Original: English
ISBN10:
6208451663
ISBN13:
9786208451660
GPSR Manufacturer Reference:
[email protected]
Weight:
167 g
Height:
150 cm
Width:
220 cm
Thickness:
6 cm
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