Binding energies of two-dimensional materials

Mostaani, Elaheh (2013) Binding energies of two-dimensional materials. In: Novel 2D materials: tuning electronic properties on the atomic scale, 2013-06-112013-06-14.

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The binding energy curves of atomically thin layers are key quantities that enable the description of the interaction of two-dimensional (2D) materials with each other and with substrates. Here, the binding energy of bilayer graphene is calculated using highly accurate variational and diffusion quantum Monte Carlo (QMC) calculations[1] which are implemented in the CASINO code[2]. The results can be used in models of exfoliation and studies of the interaction of graphene and other layered materials. References [1] W.M.C. Foulkes et al., Rev. Mod. Phys. 73, 33 (2001). [2] R.J. Needs et al., J. Phys.: Condens. Matter 22, 023201 (2010).

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Contribution to Conference (Poster)
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Novel 2D materials: tuning electronic properties on the atomic scale
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02 Jan 2014 11:18
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22 Nov 2022 14:02