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    學術報告:A New Approach for the Mesoscopic and Macroscopic Modeling of Quantum Systems: Application in 2D Materials

    來源:     發布時間:2016-11-28

    題目:A New Approach for the Mesoscopic and Macroscopic Modeling of Quantum Systems: Application in 2D Materials

    報告人:袁聲軍博士

    地點:3號樓401會議室

    時間:20161129日(周二)上午1000-1100

     

    個人簡歷:袁聲軍,荷蘭奈梅亨大學(Tenure-track),計算物理組組長。2001年本科畢業于浙江大學物理系,2003年獲得德國錫根大學碩士學位,2008年獲得荷蘭格羅寧根大學計算物理博士學位。2009-2014年在荷蘭奈梅亨大學理論凝聚態物理組從事博士后研究,合作導師為歐洲科學院與荷蘭皇家科學院院士Mikhail Katsnelson教授。近年來發展了一套新的計算物理方法,并應用于復雜量子體系的超大尺度模擬,包括對各種電學、光學和輸運性質的計算。目前為荷蘭理論物理協會會員,歐洲凝聚態物理年會(2016年)二維材料理論與模擬分會主席。

     

    摘要:

    A New Approach for the Mesoscopic and Macroscopic Modeling of Quantum Systems: Application in 2D Materials

     Shengjun Yuan

     

    Institute for Molecules and Materials,Radboud University ,

     

    NL-6525AJ Nijmegen, the Netherlands

    Heijendaalseweg 135, NL-6525AJ Nijmegen, the NetherlandsHeijendaalseweg 135, NL-6525AJ Nijmegen, the NetherlandsHeijendaalseweg 135, NL-6525AJ Nijmegen, the Netherlands

    The deep understanding of the physical properties of 2D materials requires the study crossing over from microscopic to macroscopic. New quantum phenomena emerge at the mesoscopic and macroscopic level, such as interference effects, quantum confinement effects, and charging effects. For structures with scales larger than 100 nanometers, are unfeasible. Tight-binding propagation methods (TBPMs) [1-5] are developed for the modeling of systems range from mesoscopic to macroscopic level, and applied for the calculations of electronic, transport and optical properties. We will give a brief introduction of the methods, and show their applications together with our recent progresses in the study of  2D materials, heterostructures and superstructures, such as the many-body enhancement of insulating states at the additional Dirac points in graphene-hBN heterostructures [6], the modification of optical gap in fluorographene due to (super)structure disorders [7], effects of disorder in the electronic and optical properties of semiconducting black phosphorus [8-9] and transition metal dichalcogenides [10], a new tight-binding model parametrization for black phosphorus with an arbitrary number of layers [11], transition from semiconductor to Dirac semimetal in biased black phosphorus [12], and fractional dimension appeared in the electronic transport in 2D fractals [13]. We will also show how to combine the TBPMs with other well-known numerical methods such as DFT-GW and molecular dynamics, and discuss briefly the extension to many-body problem.

     

     

    References

    [1] S. Yuan, H. De Raedt,  M. I. Katsnelson, Phys. Rev. B 82, 115448 (2010).

    [2] T. O. Wehling, S. Yuan, A. I. Lichtenstein, A. K. Geim,  M. I. Katsnelson, Phys. Rev. Lett. 105, 056802 (2010).

    [3] S. Yuan, R. Roldán, M. I. Katsnelson, Phys. Rev. B 84, 035439 (2011).

    [4] S. Yuan, T. O. Wehling, A. I. Lichtenstein, M. I. Katsnelson, Phys. Rev. Lett. 109, 156601 (2012).

    [5] R. Logemann, K. J. A. Reijnders, T. Tudorovskiy, M. I. Katsnelson, S. Yuan, Phys. Rev. B 91, 045420 (2015).

    [6] G. J. Slotman, M. M. van Wijk, P. -L. Zhao, A. Fasolino, M. I. Katsnelson, S. Yuan, Phys. Rev. Lett. 115, 186801 (2015).

    [7] S. Yuan, M. Rosner, A. Schulz, T. O. Wehling, M. I. Katsnelson, Phys. Rev. Lett. 114, 047403 (2015).

    [8] F. Jin, R. Roldán, M. I. Katsnelson, S. Yuan, Phys. Rev. B 92, 115440 (2015).

    [9] S. Yuan, A. N. Rudenko, M. I. Katsnelson, Phys. Rev. B 91, 115436 (2015).

    [10] S. Yuan, R. Roldán, M. I. Katsnelson, F. Guinea, Phys. Rev. B 90, 041402(R) (2014).

    [11] A. N. Rudenko, S. Yuan, M. I. Katsnelson, Phys. Rev. B 92, 085419 (2015).

    [12] S. Yuan, M. I. Katsnelson, R. Roldán, Phys. Rev. B 93, 245433 (2016).

    [13] E. van Veen, S. Yuan*, M. I. Katsnelson,  M. Polini, A. Tomadin, Phys. Rev. B 93,115428 (2016).

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