The electronic and transport properties of borophene/phosphorene heterojunction are systematically investigated by first-principles calculations. The geometrical structures and electronic band structures of monolayer borophene, monolayer phosphorene and heterojunctions with different distances between layers are analyzed. The calculated results show that the band gap can be adjusted by tuning the distance between heterostructure layers. Then the transport properties of the heterojunction with different electrodes are also studied. It can be found that the selected different electrode has a significant effect on the transport property of the heterojunction. Interestingly, while the heterostructure is selected as the electrode, it shows the best transport performance of heterostructure with the interlayer distance of 2.65 Å. It is hoped that this paper may provide useful insight for the design of nanoelectronics devices based on the borophene/phosphorene heterojunctions.

中文翻译：

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硼苯/磷杂结的输运性质研究

通过第一性原理计算系统地研究了硼苯/磷杂结的电子​​和输运性质。分析了层间距离不同的单层硼苯，单层phosphor和异质结的几何结构和电子能带结构。计算结果表明，可以通过调整异质结构层之间的距离来调整带隙。然后，还研究了异质结在不同电极上的传输性质。可以发现，所选择的不同电极对异质结的传输特性具有显着影响。有趣的是，所述异质结构被选择作为电极，它示出了异质结构具有2.65埃的层间距离的最佳运输性能。