3.8 Article

Material design of half-metallic zinc-blende CrAs and the synthesis by molecular-beam epitaxy

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JAPAN SOC APPLIED PHYSICS
DOI: 10.1143/JJAP.39.L1118

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material design; ab initio calculation; molecular-beam epitaxy; zinc-blende CrAs; half-metallic ferromagnet

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A new class of half-metallic ferromagnets has been found in the zinc-blende crystal structure. The previously nonexistent zinc-blende CrAs thin films have been synthesized on GaAs (001) substrates by molecular-beam epitaxy, and show a ferromagnetic behavior at room temperature. The zinc-blende CrAs has been designed by ab initio calculations based on the local spin-density approximation, and the calculation predicts the highly spin-polarized electronic band structure.

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