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We present the rational design scheme intended to provide the stable high spin-polarization at the interfaces of the magneto-resistive junctions by fulfilling the criteria of structural and chemical compatibilities at the interface. This can be realized by joining the semiconducting and half-metallic Heusler materials with similar structures. The present first-principal calculations verify that interface remains half-metallic if the nearest interface layers effectively form a stable Heusler material with the properties intermediate between the surrounding bulk parts. This leads to a simple rule for selecting the proper combinations.
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Chemical doping is one of the most important strategies for tuning electrical properties of semiconductors, particularly thermoelectric materials. Generally, the main role of chemical doping lies in optimizing the carrier concentration, but there can
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