Acta Physica Sinica, Volume. 68, Issue 2, 023101-1(2019)

Ultrafast spin dynamics in double-magnetic-center endohedral fullerene Y2C2@C82-C2(1)

Rui Huang1... Chun Li1,*, Wei Jin2, Lefkidis Georgios3 and Hübner Wolfgang3 |Show fewer author(s)
Author Affiliations
  • 1School of Mechanics, Civil Engineering and Architecture, Northwestern Polytechnical University, Xi’an 710072, China
  • 2School of Physics and Information Technology, Shaanxi Normal University, Xi’an 710119, China
  • 3Department of Physics and Research Center OPTIMAS, Technische Universität Kaiserslautern, 67653 Kaiserslautern, Germany
  • show less
    Figures & Tables(7)
    Double-magnetic-center endohedral fullerene Y2C2@C82-C2(1) system: (a) Endohedral fullerene Y2C2@C82C2(1); (b) endohedral bimetallic carbide clusters (Y2C2).双磁性中心内嵌富勒烯Y2C2@C82-C2(1)体系 (a) 内嵌富勒烯Y2C2@C82C2(1); (b) 内嵌的双金属碳化物团簇(Y2C2)
    Ultrafast spin-switching scenario achieved in Y2C2@C82-C2(1) system under laser pulses: (a) Time evolution of the occupation of the initial state (dashed black line), final state (solid red line), and the intermediate states (colorized solid lines) involved in spin-switching scenario; (b) variation of the expectation values of the spin angular momentum components along the x, y and z axis with time; (c) laser pulse envelope of the spin-switching scenario, inset represents structurally optimized endohedral Y2C2 cluster, the dashed circle represents the carbon cage; (d)energy levels of Y2C2@C82-C2(1) calculated by SAC-CI (including SOC).激光脉冲作用下, Y2C2@C82-C2(1)体系中的超快自旋翻转过程 (a) 自旋翻转过程中所涉及的初始态(黑色虚线)、最终态(红色实线)和中间态(彩色实线)随时间变化的占据情况; (b) 自旋角动量分量的期望值随时间的变化情况; (c) 实现自旋翻转所用的激光脉冲包络线, 插图为结构优化后的内嵌Y2C2团簇, 碳笼用虚线表示; (d)SAC-CI计算得到的能级图(考虑SOC)
    Ultrafast spin-transfer scenario achieved in Y2C2@C82-C2(1) system under laser pulses: (a) Time evolution of the occupation of the initial state (dashed black line), final state (solid red line), and the intermediate states (colorized solid lines) involved in spin-transfer scenario; (b) variation of the expectation values of the spin angular momentum components along the x, y and z axis with time; (c) laser pulse envelope of the spin-transfer scenario, inset represents structurally optimized endohedral Y2C2 cluster, the dashed circle represents the carbon cage; (d) energy levels of Y2C2@C82-C2(1) calculated by SAC-CI (including SOC).激光脉冲作用下, Y2C2@C82-C2(1)体系中的超快自旋转移过程 (a) 自旋转移过程中所涉及的初始态(黑色虚线)、最终态(红色实线)和中间态(彩色实线)随时间变化的占据情况; (b) 自旋角动量分量的期望值随时间的变化情况; (c) 实现自旋转移所用的激光脉冲包络线, 插图为结构优化后的内嵌Y2C2团簇, 碳笼用虚线表示; (d)SAC-CI计算得到的能级图(考虑SOC)
    Electronic absorption spectra of the initial (state ) and final (state ) state of the spin-switching and spin-transfer scenarios in Y2C2@C82-C2(1).Y2C2@C82-C2(1)体系自旋翻转和自旋转移过程中初始态和最终态的电子吸收光谱图
    • Table 1.

      Spin density distributions of the five lowest triplet states in Y2C2@C82-C2(1) system (without SOC).

      Y2C2@C82-C2(1)体系中能量最低的五个三重态的自旋密度分布情况(未考虑SOC)

      View table
      View in Article

      Table 1.

      Spin density distributions of the five lowest triplet states in Y2C2@C82-C2(1) system (without SOC).

      Y2C2@C82-C2(1)体系中能量最低的五个三重态的自旋密度分布情况(未考虑SOC)

      AtomState 1State 2State 3State 4State 5
      Y10.4480.4790.1250.3680.198
      Y20.6060.8310.1480.8010.173
      C (max)0.0580.0460.0590.0420.066
    • Table 2.

      Localization positions, energies and spin expectation values of the involved states in spin-switching scenario (including SOC).

      自旋翻转过程涉及能态的局域化位置、能量和自旋期望值(考虑SOC)

      View table
      View in Article

      Table 2.

      Localization positions, energies and spin expectation values of the involved states in spin-switching scenario (including SOC).

      自旋翻转过程涉及能态的局域化位置、能量和自旋期望值(考虑SOC)

      StateSpin localizationEnergySxSySzS
      eV
      312.4440.0010.0010.9180.918
      302.443−0.003−0.0030.0000.004
      292.4430.0020.001−0.9180.918
      4Y1 = Y20.863−0.001−0.0430.9620.962
      30.8620.0020.0830.0000.083
      2Y1 = Y20.862−0.001−0.0400.9620.963
    • Table 3.

      Spin density distribution in Y2C2@C82-C2(1) system (including SOC).

      Y2C2@C82-C2(1)体系中自旋密度分布情况(考虑SOC)

      View table
      View in Article

      Table 3.

      Spin density distribution in Y2C2@C82-C2(1) system (including SOC).

      Y2C2@C82-C2(1)体系中自旋密度分布情况(考虑SOC)

      Energy/eVY1Y2C (max)Total spin density (C atom)
      State Unknown environment 'document'0.862−0.504−0.680−0.016−1.062
      State Unknown environment 'document'1.586−0.414−0.900−0.032−0.933
      Difference value0.7240.090−0.2200.129
    Tools

    Get Citation

    Copy Citation Text

    Rui Huang, Chun Li, Wei Jin, Lefkidis Georgios, Hübner Wolfgang. Ultrafast spin dynamics in double-magnetic-center endohedral fullerene Y2C2@C82-C2(1) [J]. Acta Physica Sinica, 2019, 68(2): 023101-1

    Download Citation

    EndNote(RIS)BibTexPlain Text
    Save article for my favorites
    Paper Information

    Category: Research Articles

    Received: Oct. 23, 2018

    Accepted: --

    Published Online: Sep. 29, 2019

    The Author Email:

    DOI:10.7498/aps.68.20181887

    Topics