Literature DB >> 16478186

One-dimensional transition metal-benzene sandwich polymers: possible ideal conductors for spin transport.

Hongjun Xiang1, Jinlong Yang, J G Hou, Qingshi Zhu.   

Abstract

We investigate the electronic and magnetic properties of the proposed one-dimensional transition metal (TM = Sc, Ti, V, Cr, and Mn) -benzene (Bz) sandwich polymers by means of density functional calculations. [V(Bz)](infinity) is found to be a quasi-half-metallic ferromagnet, and half-metallic ferromagnetism is predicted for [Mn(Bz)](infinity). Moreover, we show that stretching the [TM(Bz)](infinity) polymers could have dramatic effects on their electronic and magnetic properties. The elongated [V(Bz)](infinity) displays half-metallic behavior, and [Mn(Bz)](infinity) stretched to a certain degree becomes an antiferromagnetic insulator. The possibilities to stabilize the ferromagnetic order in [V(Bz)](infinity) and [Mn(Bz)](infinity) polymers at finite temperatures are discussed. We suggest that the hexagonal bundles composed by these polymers might display intrachain ferromagnetic order at finite temperatures by introducing interchain exchange coupling.

Entities:  

Year:  2006        PMID: 16478186     DOI: 10.1021/ja054751i

Source DB:  PubMed          Journal:  J Am Chem Soc        ISSN: 0002-7863            Impact factor:   15.419


  5 in total

1.  Theoretical study of structure, bonding, and electronic behavior of novel sandwich compounds M₃(C6R6)₂ (M = Ni, Pd, Pt; R = H, F).

Authors:  Ke Zhou
Journal:  J Mol Model       Date:  2012-05-31       Impact factor: 1.810

2.  [(B3O3H3)(n)M]+ (n = 1, 2;M = Cu, Ag, Au): a new class of metal-cation complexes.

Authors:  Da-Zhi Li; Chen-Chu Dong; Shi-Guo Zhang
Journal:  J Mol Model       Date:  2013-05-01       Impact factor: 1.810

3.  Ab Initio Study of Structural, Electronic and Magnetic Properties of TM&(B@C60) (TM = V, Cr) Sandwich Clusters and Infinite Molecular Wires.

Authors:  Jie Ji; Tianxia Guo; Liyan Qian; Xiaokang Xu; Huanning Yang; Yue Xie; Maoshuai He; Xiaojing Yao; Xiuyun Zhang; Yongjun Liu
Journal:  Nanomaterials (Basel)       Date:  2022-08-12       Impact factor: 5.719

4.  Ideal Spintronics in Molecule-Based Novel Organometallic Nanowires.

Authors:  Qilong Sun; Ying Dai; Yandong Ma; Wei Wei; Lin Yu; Baibiao Huang
Journal:  Sci Rep       Date:  2015-08-04       Impact factor: 4.379

5.  Two-dimensional magnetic metal-organic frameworks with the Shastry-Sutherland lattice.

Authors:  Li-Chuan Zhang; Lizhi Zhang; Guangzhao Qin; Qing-Rong Zheng; Ming Hu; Qing-Bo Yan; Gang Su
Journal:  Chem Sci       Date:  2019-09-25       Impact factor: 9.825

  5 in total

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