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24 April 2024
 
  » arxiv » 1706.4842

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High-temperature ferromagnetic semiconductor phase in rutile CrO2 under biaxial compressive stress
Xiang-Bo Xiao ; Bang-Gui Liu ;
Date 15 Jun 2017
AbstractIt is highly desirable to combine the full spin polarization of carriers with modern semiconductor technology for spintronic applications. For this purpose, one needs good crystalline ferromagnetic (or ferrimagnetic) semiconductors with high Curie temperatures. Rutile CrO$_2$ is a half-metallic spintronic material with Curie temperature 394 K and can have nearly-full spin polarization at room temperature. Here, we find through first-principles investigation that when a biaxial compressive stress is applied on rutile CrO$_2$, the density of states at the Fermi level decreases with the in-plane compressive strain and there is a phase transition to semiconductor phase at the strain of -6.1\%, but its ferromagnetic Curie temperature remains almost independent of the strain. Further analysis shows that this half-metal-semiconductor transition is induced by the special stress-driven distortion of the oxygen octahedron of Cr in the rutile structure. This biaxial stress can be realized by applying biaxial pressure or growing the rutile CrO$_2$ epitaxially on appropriate substrates. These results should be useful for realizing full spin polarization of controllable carriers as one uses in modern semiconductor technology.
Source arXiv, 1706.4842
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