Hexagonal borophene stabilized by mixed doping: structure, stability, electronic and mechanical properties
- Authors: Steglenko D.V.1, Gribanova T.N.1, Minyaev R.M.1
-
Affiliations:
- Southern Federal University
- Issue: Vol 70, No 1 (2025)
- Pages: 73–80
- Section: ТЕОРЕТИЧЕСКАЯ НЕОРГАНИЧЕСКАЯ ХИМИЯ
- URL: https://journals.rcsi.science/0044-457X/article/view/286265
- DOI: https://doi.org/10.31857/S0044457X25010082
- EDN: https://elibrary.ru/CVNOSN
- ID: 286265
Cite item
Abstract
Using DFT calculations, the possibility of stabilizing the hexagonal honeycomb shape of borophene by mixed doping in the B6Ga2Mg4 system was showed, where a flat sheet of borophene is placed between two layers formed by magnesium and gallium atoms. B6Ga2Mg4 is a relatively soft material with metallic conductivity. Evaluation of the thermodynamic stability of this compound shows that melting will occur at temperatures above 1200 K.
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About the authors
D. V. Steglenko
Southern Federal University
Author for correspondence.
Email: dvsteglenko@sfedu.ru
Institute of Physical and Organic Chemistry
Russian Federation, Rostov-on-Don, 344090T. N. Gribanova
Southern Federal University
Email: dvsteglenko@sfedu.ru
Institute of Physical and Organic Chemistry
Russian Federation, Rostov-on-Don, 344090R. M. Minyaev
Southern Federal University
Email: dvsteglenko@sfedu.ru
Institute of Physical and Organic Chemistry
Russian Federation, Rostov-on-Don, 344090References
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