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First-principles investigations of the structural, electronic and magnetic properties of Cr-doped AlN/GaN (0001) heterostructures reveal that Cr segregates into the GaN region, that these interfaces retain their important half-metallic character and thus yield efficient (100 %) spin polarized injection from a ferromagnetic GaN:Cr electrode through an AlN tunnel barrier - whose height and width can be controlled by adjusting the Al concentration in the graded bandgap engineered Al(1-x)Ga(x)N (0001) layers.
We present a study of the electronic structure and magnetism of Co$_2$MnAl, CoMnVAl and their heterostructure. We employ a combination of density-functional theory and dynamical mean-field theory (DFT+DMFT). We find that Co$_2$MnAl is a half-metallic
Spin injection using ferromagnetic semiconductors at room temperature is a building block for the realization of spin-functional semiconductor devices. Nevertheless, this has been very challenging due to the lack of reliable room-temperature ferromag
Cobaltates have rich spin-states and diverse properties. Using spin-state pictures and firstprinciples calculations, here we study the electronic structure and magnetism of the mixed-valent double perovskite YBaCo2O6. We find that YBaCo2O6 is in the
We report a first-principles electronic-structure calculation on C and BN hybrid zigzag nanoribbons. We find that half-metallicity can arise in the hybrid nanoribbons even though stand-alone C or BN nanoribbon possesses a finite band gap. This unexpe
Semiconductor heterostructures based on layered two-dimensional transition metal dichalcogenides (TMD) interfaced to gallium nitride (GaN) are excellent material systems to realize broadband light emitters and absorbers. The surface properties of the