article · Physica Scripta
Theoretical calculations examine how doping the cubic zinc-blende semiconductor beryllium telluride with transition metals affects its structural, electronic, thermodynamic, and magnetic properties. Specifically, titanium, vanadium, chromium, manganese, and iron were investigated across varying pressures and temperatures to assess their suitability for spintronic technologies. The findings indicate that titanium-, vanadium-, and chromium-doped beryllium telluride display half-metallic ferromagnetism, achieving calculated spin polarisation levels between approximately 97% and 99%. This magnetic behaviour is driven by a double-exchange mechanism. Conversely, manganese- and iron-doped variants do not demonstrate half-metallic characteristics. Because the titanium-, vanadium-, and chromium-doped materials also show high predicted Curie temperatures, they represent viable candidates for developing stable, high-performance spintronic devices.
Spintronic technologies rely on materials that can effectively control electron spin alongside electric charge. Identifying semiconductor materials with near-total spin polarisation and high operating temperatures provides a theoretical foundation for creating more efficient, high-performance electronic components. These insights help direct material selection for future memory and data-processing technologies.
The theoretical findings point toward applications in spintronic devices, such as advanced magnetic memory or processing hardware. Hardware developers and semiconductor engineers exploring new materials could use these insights to guide physical synthesis. However, this work remains early-stage theoretical modelling, meaning practical utilisation will require experimental fabrication, physical property verification, and integration testing before commercial hardware can be realised.
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Abstract We present an ab initio theoretical investigation of transition-metal (Ti, V, Cr, Mn, Fe) doping effects on the cubic zinc-blende BeTe semiconductor, aiming to tailor its properties for spintron-ic applications. We first examine the equilibrium structural and electronic properties, then ana-lyze the influence of pressure and temperature on the material's electrical, magnetic, thermody-namic, and structural behavior. Our results show that Ti-, V-, and Cr-doped BeTe exhibit half-metallic ferromagnetism with nearly 100% spin polarization, with calculated spin polarization values ranging from approximately 97% to 99%, while Mn- and Fe-doped BeTe lack this half-metallic character. The observed magnetism in the half-metallic systems originates from the double-exchange mechanism. Importantly, the predicted high Curie temperatures (Tc) for Ti-, V-, and Cr-substituted BeTe suggest that these dopants are promising candidates for robust spintronic devices. This study provides new theoretical insights into tailoring BeTe for high-performance spintronic applications.
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DOI: 10.1088/1402-4896/aea191
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