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Abstract <p>Using DFT calculations, it has been demonstrated that the hexagonal honeycomb borophene can be stabilized by mixed doping in the B<sub>6</sub>Ga<sub>2</sub>Mg<sub>4</sub> system, where a flat sheet of borophene is placed between two layers formed by magnesium and gallium atoms. B<sub>6</sub>Ga<sub>2</sub>Mg<sub>4</sub> 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.</p>

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Hexagonal Borophene Stabilized by Mixed Doping: Structure, Stability, and Electronic and Mechanical Properties

  • 期刊论文

  • 发表日期：

    2025年1月1日

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  • D. V. Steglenko,
  • T. N. Gribanova,
  • R. M. Minyaev

摘要

Abstract

Using DFT calculations, it has been demonstrated that the hexagonal honeycomb borophene can be stabilized by mixed doping in the B6Ga2Mg4 system, 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.