Nearly Perfect Spin Filter Based on a Wire of Half-Metallic (η5-C5H5)Ti(η8-C8H8)Ti Units

Author:X.X. Publish:2016/2/20

Abstract:Organic molecular devices show strong potential for future nanoelectronics applications, many of which require multifunction capability. Organometallic (η5-C5H5)Ti(η8-C8H8)Ti clusters are one of the few molecular material clusters that have been synthesized experimentally. Here we present a theoretical study of the spin-polarized transport on the clusters of (η5-C5H5)Ti(η8-C8H8)Ti by using nonequilibrium Green’s functions combined with the density-functional theory. Results indicate that one-dimensional, organic (η5-C5H5)Ti(η8-C8H8)Ti wire has unique half-metallic properties with 100% spin polarization near the Fermi level in the ground state. We predict that finite-layer (η5-C5H5)Ti(η8-C8H8)Ti clusters coupled to gold electrodes exhibit a near-perfect spin-filter effect. Furthermore, due to the large spin coherence originated from its organic nature, these devices possess a spin-valve effect with large magnetoresistance. Our findings suggest that such a multifunctional molecular device is an excellent candidate for future moleculebased spintronic applications.

Contact Address: Hubei Province Wuhan City Hongshan District Luo Yu Road No. 1037, Huazhong University of Science and Technology, East Campus, Postal Code: 430074, China Tel: 027-87792334-8118 E-mail:     Hubei ICP11002378 -15    Back-stage Management