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. 2019 Dec 27;9:20253. doi: 10.1038/s41598-019-56497-6

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© The Author(s) 2019

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Electronic structure calculations at ambient pressure. Fat band structures for (a) MgGNR and (b) the hypothetical structure (HS). The orange line denotes the energy shift with respect to MgGNR. (c) The Fermi surface of MgGNR. The red line indicates the k-path of the band structure. (d) The charge density plot of MgGNR. The upper and lower ones are the top view and side view, respectively. x, y, and z represent the local axes. The charge density is integrated over −2 eV to E_F with an isosurface level of 0.047 e/Å³.