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      Endohedral Fullerene Fe@C 28 Adsorbed on Au(111) Surface as a High-Efficiency Spin Filter: A Theoretical Study

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          Abstract

          We present a theoretical study on the adsorption and spin transport properties of magnetic Fe@C 28 using Ab initio calculations based on spin density functional theory and non-equilibrium Green’s function techniques. Fe@C 28 tends to adsorb on the bridge sites in the manner of C–C bonds, and the spin-resolved transmission spectra of Fe@C 28 molecular junctions exhibit robust transport spin polarization (TSP). Under small bias voltage, the transport properties of Fe@C 28 are mainly determined by the spin-down channel and exhibit a large spin polarization. When compressing the right electrode, the TSP is decreased, but high spin filter efficiency (SFE) is still maintained. These theoretical results indicate that Fe@C 28 with a large magnetic moment has potential applications in molecular spintronics.

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          Generalized Gradient Approximation Made Simple

          John P Perdew, Kieron Burke, Matthias Ernzerhof (1997)
          Article 0 comments Cited 28236 times – based on 0 reviews     Review now
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            Concepts in the design and engineering of single-molecule electronic devices

            Na Xin, Jianxin Guan, Chenguang Zhou … (2019)
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              Single-molecule transistors.

              Mickael Perrin, Enrique Burzuri, Herre van der Zant (2015)
              The use of a gate electrode allows us to gain deeper insight into the electronic structure of molecular junctions. It is widely used for spectroscopy of the molecular levels and its excited states, for changing the charge state of the molecule and investigating higher order processes such as co-tunneling and the Kondo effect. Gate electrodes have been implemented in several types of nanoscale devices such as electromigration junctions, mechanically controllable break junctions, and devices with carbon-based electrodes. Here we review the state-of-the-art in the field of single-molecule transitors. We discuss the experimental challenges and describe the advances made for the different approaches.
              Article 0 comments Cited 70 times – based on 0 reviews     Review now
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                Author and article information

                Journal
                Journal ID (nlm-ta): Nanomaterials (Basel)
                Journal ID (iso-abbrev): Nanomaterials (Basel)
                Journal ID (publisher-id): nanomaterials
                Title: Nanomaterials
                Publisher: MDPI
                ISSN (Electronic): 2079-4991
                Publication date (Electronic): 25 July 2019
                Publication date Collection: August 2019
                Volume: 9
                Issue: 8
                Electronic Location Identifier: 1068
                Affiliations
                [1 ]Hubei Key Laboratory of Low Dimensional Optoelectronic Materials and Devices, Hubei University of Arts and Science, Xiangyang 441053, China
                [2 ]School of Physical Science and Technology, Southwest University, Chongqing 400715, China
                [3 ]School of Physics and Electronic Engineering, Jiangsu Normal University, Xuzhou 221116, China
                Author notes
                [* ]Correspondence: guijie-liang@ 123456hotmail.com (G.L.); xiaotianwang@ 123456swu.edu.cn (X.W.); Tel.: +86-0710-3590-061 (G.L.)
                [†]

                These authors contributed equally to this work.

                Author information
                https://orcid.org/0000-0001-8124-7942
                https://orcid.org/0000-0002-1242-9707
                https://orcid.org/0000-0002-2679-780X
                Article
                Publisher ID: nanomaterials-09-01068
                DOI: 10.3390/nano9081068
                PMC ID: 6722963
                PubMed ID: 31349620
                SO-VID: 17660a23-763d-4620-878c-e2fba357d947
                Copyright © © 2019 by the authors.
                License:

                Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license ( http://creativecommons.org/licenses/by/4.0/).

                History
                Date received : 24 June 2019
                Date accepted : 23 July 2019
                Categories
                Subject: Article

                Keywords: molecular spintronics,c28 endohedral fullerene,spin transport properties,spin filter
                Data availability:
                Keywords: molecular spintronics, c28 endohedral fullerene, spin transport properties, spin filter

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