Invited Paper HI-ThM5
Interaction of Energetic Ions and Electrons with Two-Dimensional Materials
Thursday, October 31, 2013, 9:20 am, Room 203 A
The experiments (see [1,2] for an overview) on the bombardment of 2D materials with energetic particles indicate that irradiation can have beneficial effects on such targets and that electron or ion beams can serve as tools to change the morphology and tailor the properties of such materials. It is also evident from the experimental and theoretical data obtained so far that the conventional theory of defect production in bulk materials not always works at the nanoscale or it requires considerable modifications. In this talk, our latest theoretical results on the response of graphene [3-6] and inorganic 2D materials like BN [7] and dichalcogenides (MoS2, etc) [8] to electron and ion irradiation will be presented, combined with the experimental results obtained in collaboration with several groups [5,6,8-11]. I will also touch upon applications of time-dependent density-functional theory (TD-DFT) to ion electronic stopping calculations. I will show that combining TD-DFT with Ehrenfest dynamics and PAW approach, one can calculate electronic stopping power from first principles for a specific trajectory and different charge states of the projectile, and the results of calculations are in an excellent agreement with the experimental data. 1. A. V. Krasheninnikov, K. Nordlund, JAP 107 (2010) 071301.
2. A.V. Krasheninnikov and F. Banhart, Nature Materials, 6 (2007) 723.
3. O. Lehtinen et al., PRB 81 (2010) 153401.
4. E. H. Åhlgren, et al., APL 100 (2012) 23310.
5. J. Kotakoski, et al., PRL 106 (2011) 105505.
6. J.C. Meyer et al., PRL 108 (2012) 196102.
7. N. Berseneva, et al., PRL 107 (2011) 035501.
8. H.-P. Komsa, et al., PRL 109 (2012) 035503.
9. R. Nair, et al., Nat. Phys. 8 (2012) 199.
10. M. Kalbac et al., Advanced Materials 25 (2013) 1004.
11. S. Standop et al., Nano Letters (2013) in press.