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晶体管作为现代电子产业的基石,要求其沟道材料既具有一个合适的带隙又具有较高的迁移率.目前,少层黑磷的结果显示,黑磷既具有一个适中的带隙值,又拥有高于MoS_2的迁移率.但是,目前实验上黑磷迁移率的最大值仅达到1000 cm~2 V~(-1) s~(-1)左右,与传统半导体Si(1400 cm~2 V~(-1) s~(-1))和InP(5,400 ~2 V~(-1) s~(-1))相比还是略逊一筹.本文通过第一性原理模拟,设计了一种新型二维半导体材料—单层SbP.结果表明,单层SbP可以稳定存在,并且带隙值处在刚好合适的范围内,同时,迁移率可以高达20,000 ~2 V~(-1) s~(-1).综合考虑到实验上同种相结构的AsP已经被成功制备得到,和理论上预测H_2,O_2和H_2O仅会通过不明显影响其性质的物理吸附吸附在锑烯表面,我们设计的磷锑化合物会是一种具备实验可能性、高度空气稳定性、并且对人体无毒的高性能二维沟道材料.
Transistors, as the cornerstone of the modern electronics industry, require that their channel materials have both a suitable bandgap and a high mobility.At present, the results of a few layers of black phosphorus show that both have a moderate bandgap value, However, at present, the maximum mobility of black phosphorus only reaches about 1000 cm -2 V -1 s -1, which is in agreement with the conventional semiconductor Si (1400 cm -2 V ~ (-1) s ~ (-1)) and InP (5,400 ~ 2 V ~ (-1) s ~ (-1)) are still slightly inferior.In this paper, by first-principles simulation, The results show that single-layer SbP can exist stably, and the band gap value is in the right range. At the same time, the mobility can reach as high as 20,000 ~ 2V ~ (-1) s ~ (-1) -1) .According to the fact that AsP has been successfully prepared in the same isomorphous phase structure, it is predicted theoretically that H 2 O 2 and H 2 O can be adsorbed on the surface of antimony by physical adsorption which does not obviously affect their properties. Phosphorus antimony compounds will be a possibility with experimental, high air stability, and non-toxic to humans high-performance two-dimensional channel material.