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Full-Text Articles in Physics
Built-In Electric Field Assisted Spin Injection In Cr And Mn Δ-Layer Doped Aln/Gan(0001) Heterostructures From First Principles, X. Y. Cui, Julia E. Medvedeva, B. Delley, C. Stampfl, Arthur J. Freeman
Built-In Electric Field Assisted Spin Injection In Cr And Mn Δ-Layer Doped Aln/Gan(0001) Heterostructures From First Principles, X. Y. Cui, Julia E. Medvedeva, B. Delley, C. Stampfl, Arthur J. Freeman
Physics Faculty Research & Creative Works
Highly spin-polarized diluted ferromagnetic semiconductors are expected to be widely used as ideal spin injectors. Here, extensive first-principles density-functional theory calculations have been performed to investigate the feasibility of using Cr- and Mn-doped wurtzite polar AlN/GaN(0001) heterostructures, with the aim to realize the appealing half-metallic character and, hence, efficient electrical spin injection. To overcome the formation of detrimental embedded clusters, we propose digital delta-layer doping perpendicular to the growth direction so as to realize enhanced performance at room temperature. The formation energy, electronic and magnetic properties, and the degree of spin polarization for both neutral and charged valence states for …
Electronic And Magnetic Properties Of Endohedrally Doped Fullerene Mn@C60: A Total Energy Study, Guangping Li, Renat F. Sabirianov, Jing Lu, Xiao Cheng Zeng, Wai-Ning Mei
Electronic And Magnetic Properties Of Endohedrally Doped Fullerene Mn@C60: A Total Energy Study, Guangping Li, Renat F. Sabirianov, Jing Lu, Xiao Cheng Zeng, Wai-Ning Mei
Physics Faculty Publications
We perform total energy calculations on a manganese atom encapsulated inside a C60 cage using density functional theory with the generalized gradient approximation through three optimization schemes and along four paths inside the cage. We find that when Mn is located in the central region, its electronic and magnetic properties are not exactly the same as those of a free Mn atom due to weak coupling between Mn and the cage. As Mn is shifted toward to the edge, the total energy and spin start to change significantly when Mn is situated about one-third of the way between the …