Article ID Journal Published Year Pages File Type
1405333 Journal of Molecular Structure 2013 7 Pages PDF
Abstract

In present paper, detailed investigations on the magnetic and quantum transport properties of Mnn(B3N3H6)n+1 (n = 1–4) sandwich clusters were performed by using density functional theory and non-equilibrium Green’s function technique. The calculated results show that these clusters are stable and adopt ferromagnetic orders as the ground states. When coupled to Ni electrodes, the sandwiches could exhibit novel quantum transport properties such as high spin-filter capabilities and negative differential resistance effects, indicating that these sandwich systems could be viewed as a new kind of spin filter.

Related Topics
Physical Sciences and Engineering Chemistry Organic Chemistry
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