Details

Autor(en) / Beteiligte

• Luo, Guangfu
• Lu, Jing
• Liu, Jing
• Mei, Wai-Ning
• Dowben, P.A.

Titel

Insights into the local electronic structure of semiconducting boron carbides in the vicinity of transition metal dopants

Ist Teil von

• Materials science & engineering. B, Solid-state materials for advanced technology, 2010-11, Vol.175 (1), p.1-8

Ort / Verlag

Elsevier B.V

Erscheinungsjahr

2010

Link zum Volltext

Quelle

Access via ScienceDirect (Elsevier)

Beschreibungen/Notizen

• Based on the experimentally determined pairwise site locations of transition metal atoms in doped semiconducting boron carbides, model spin-polarized electronic structure calculations indicate that some transition metal doped semiconducting boron carbides may act as excellent spin filters when used as the dielectric barrier in a magnetic tunnel junction structure. The local spin configuration of all the 3d transition metals, Ti to Cu, doped boron carbides are compared using first-principle total energy calculations on cluster and infinite icosahedral chain models. In the case of Ti and Fe doping, there may be considerable enhancements in the magneto-resistance of the heterostructure. The models also confirm that the favorable sites 3d transition metal atoms occupied are within the icosahedral cage, in a pairwise fashion on adjacent icosahedra.