连接构型对铬卟啉分子自旋过滤效应的调控

doi:10.13438/j.cnki.jdzk.2019.04.007

吉首大学学报（自然科学版）

连接构型对铬卟啉分子自旋过滤效应的调控

李美华，叶伏秋，张军

（吉首大学物理与机电工程学院，湖南吉首 416000）

出版日期:2019-07-25 发布日期:2019-07-31
作者简介:李美华（1980—），女，吉首大学物理与机电工程学院研究生，主要从事凝聚态物理在分子电子学理论研究；叶伏秋，男，吉首大学物理与机电工程学院副教授，主要从事凝聚态物理领域研究；张军（1979—），男，吉首大学信息科学与工程学院研究生.
基金资助:
国家自然科学基金资助项目（11602094）

Regulation of Spin Filtering Effect in Chrome-Porphyrin Molecules Based on Different Connection Configurations

LI Meihua, YE Fuqiu, ZHANG Jun

（College of Physics and Electromechanical Engineering, Jishou University, Jishou 416000, Hunan China）

Online:2019-07-25 Published:2019-07-31

摘要/Abstract

摘要：

采用第一性原理方法对不同连接构型的铬卟啉分子电子自旋输运性质进行计算分析.结果表明，对角连接构型的铬卟啉分子在0～0.2 V偏压区间范围内的自旋极化率高达95%以上，水平连接构型的导电性能比对角连接高约1个数量级.说明改变铬卟啉分子连接构型，可以改变电子自旋前线分子轨道分布和输运路径，从而实现其自旋过滤效应，对基于不同连接构型的铬卟啉分子器件的电子自旋输运性质进行有效调控.

关键词： 铬卟啉分子, 电子自旋输运, 连接构型, 自旋过滤效应

Abstract:

The first principle method has been used to calculate and analyze the electron spin transport properties of chrome-porphyrin molecule with different connection configurations. The results showed that chrome-porphyrin molecules with diagonal connection configuration had more than 95% spin polarization at 0～0.2 V bias voltage, and the conductivity of horizontal connection configuration was one order higher than that of diagonal connection configuration. By changing the connection configuration and then changing the molecular orbital distribution and transport path of the electron spin front, the spin filtering effect can be realized and the electron spin transport properties of chrome-porphyrin molecular devices based on different connection configurations can be effectively regulated.

Key words: chrome-porphyrin molecule, spin-dependent electron transport, molecular connection configuration, spin filtering effect

李美华，叶伏秋，张军. 连接构型对铬卟啉分子自旋过滤效应的调控[J]. 吉首大学学报（自然科学版）, DOI: 10.13438/j.cnki.jdzk.2019.04.007.

LI Meihua, YE Fuqiu, ZHANG Jun. Regulation of Spin Filtering Effect in Chrome-Porphyrin Molecules Based on Different Connection Configurations[J]. Journal of Jishou University（Natural Sciences Edition), DOI: 10.13438/j.cnki.jdzk.2019.04.007.

参考文献

[1] MOORE G E. Cramming More Components onto Integrated Circuits[J]. Electronics Magazine, 1965, 38(8): 114-117.
[2] BAUER G E W, SAITOH E, VAN WEES B J. Spin Caloritronics[J]. Nature Materials, 2012, 11: 391- 399.
[3] PILEVARSHAHRI R, RUNGGER I, ARCHER T, et al. Spintranspoert in Higher n-Acene Molecules[J]. Physical Review B, 2011, 84（17）: 174 437.
[4] FAN Z Q, CHEN K Q. Negative Differential Resistance and Rectifying Behaviorinphenalenyl Molecular Device with Different Contact Geometries[J]. Applied Physics Letters, 2010, 96(5): 053 509.
[5] ZENG J, CHEN K Q. Spin Filtering, Magnetic and Electronic Switching Behaviors in-Manganese Porphyrin: Based Spintronic Devices[J]. Journal of Materials Chemistry C, 2013, 1(25): 4 014.
[6] PENG Jun, ZHOU Wuxing, CHEN Keqiu. High-Efficiency Spin Filtering in Salophen-Based Molecular Junctions Modulated with Different Transition Metal Atoms[J]. Physics Letters A, 2014, 378（42）: 3 126-3 130.
[7] FAN Z Q, SUN W Y, JIANG X W. et al. Redox Control of Magnetic Trans-Port Properties of a Single Anthraquinone Molecule with Different Contacted Geometries[J]. Carbon, 2017, 113: 18-25.
[8] ZHANG Hang, ZENG Jing, CHEN Keqiu. Rectifying and Negative Differential Resistance Behaviors Induced by Asymmetric Electrode Coupling in Pyrene: Basedn Molecular Device[J]. Physica E: Low-Dimensional Systems and Nanostructures, 2012, 44(7/8): 1 63 1-1 635.
[9] WU Q H, ZHAO P, SU Y, et al. Spin Transport of Dibenzoteraaza [14] Annulene Complexes with First Row Transition Metals[J]. RSC Adances, 2015, 5（65）: 52 938-52 944.
[10] CHO W J, CHO Y, MIN S K, et al. Chromium Porphyrin Arrays as Spin-Tronicdevices[J]. Journal of the American Chemical Society, 2011, 133(24): 9 364-9 369.
[11] FAN Z Q, XIE F, JIANG X W, et al. Giant Decreasing of Spin Current in a Single Molecular Junction with Twisted Zigzag Graphene Nanoribbon Electrodes[J]. Carbon, 2016, 110: 200-206.
[12] BUTTIKER M, IMRY Y, LANDAUER R, et al. Generalized Many-c. Hannelconduc-Tance Formula with Application to Small Rings[J]. Physical Review B, 1985, 31(10): 6 207- 6 215.
[13] KATSUNORI TAGAMI, MASARU TSUKADA. Electronic Transport Through Tape Por-Phyrin Molecular Bridges[J]. Thin Solid Films, 2004, 464: 429-432.

连接构型对铬卟啉分子自旋过滤效应的调控

Regulation of Spin Filtering Effect in Chrome-Porphyrin Molecules Based on Different Connection Configurations

PDF (PC)

可视化

摘要/Abstract

引用本文

使用本文

参考文献

相关文章 0

编辑推荐

Metrics

本文评价