Two-Dimensional Borides Discovery

A. Lopez-Bezanilla
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Abstract

A set of rules based on charge transfer principles to create dynamically stable transition metal, lanthanide, and actinide based low-dimensional borides is provided. By employing basic chemical rules based on a charge transfer analysis of metal atoms to electron deficient honeycombed B lattices we predict and describe complex covalent two-dimensional (2D) heterostructures hosting Dirac states. The guidelines are supported with the analysis of first-principles computed phonon spectra. Multilayered borides open a rich playground to explore novel physical properties and new materials.
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二维硼化物的发现
提供了一套基于电荷转移原理的规则,以创建动态稳定的过渡金属、镧系元素和锕系元素为基础的低维硼化物。利用基于金属原子到缺电子蜂窝状B晶格的电荷转移分析的基本化学规则,我们预测和描述了具有狄拉克态的复杂共价二维异质结构。该指南得到第一性原理计算声子谱分析的支持。多层硼化物为探索新的物理性质和新材料开辟了广阔的天地。
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