Effects of doping and biaxial strain on the electronic properties of GaN/graphene/WS2 trilayer vdW heterostructure
Effects of doping and biaxial strain on the electronic properties of GaN/graphene/WS2 trilayer vdW heterostructure
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DOI：
10.1007/s10853-020-04867-1
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发表时间：
2020-05
影响因子：
4.5
通讯作者：
Jiangshan Zheng;Enling Li;Z. Cui;Deming Ma;Xiaolin Wang
中科院分区：
文献类型：
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作者：
Jiangshan Zheng;Enling Li;Z. Cui;Deming Ma;Xiaolin Wang
在第一性原理计算的基础上，讨论了掺杂和双轴应变对GaN/graphene/WS 2三层vdW异质结构电子性质的调节. Mg或Se的掺杂可以调节GaN/graphene/WS 2三层vdW异质结构的带隙，并可以调节graphene和三层异质结构中的外延型或n型掺杂。带隙随正应变的增加而减小，并始终保持p型肖特基势垒。随着负应变的增加，带隙在ε= − 3%时达到最大值，然后逐渐减小。和之后|ε| ≥ | − 5|%时，其变为间接带隙。当|ε| ≥ | − 7|%时，肖特基接触类型由m型变为ton型。电子从GaN层向石墨烯和WS 2层转移，且随着应变从负向正的增加，电子转移量增加。在正应变下，更多的电子被转移到WS 2，而在负应变下，更多的电子被转移到石墨烯。研究结果将为三层肖特基器件的设计提供有价值的信息。
Based on the calculation using first-principles, we discussed adjustment for electronic properties of the GaN/graphene/WS2trilayer vdW heterostructure by doping and biaxial strain. Mg or Se doping can regulate the band gap of the GaN/graphene/WS2trilayer vdW heterostructure and achievep-type orn-type dopant in graphene and the trilayer heterostructure system. Band gap decreases with the increase in positive strain, and ap-type Schottky barrier is always maintained. As the negative strain increases, the band gap reaches its maximum atε= − 3% and then gradually decreases. And after |ε| ≥ | − 5|%, it changes to an indirect band gap. When |ε| ≥ | − 7|%, the Schottky contact type changes fromp-type ton-type. Electrons are transferred from GaN layer to graphene and WS2layer, and transfer increases with the increase in strain from negative to positive. More electrons are transferred to WS2with positive strain, and more electrons are transferred to graphene with negative strain. The results will provide valuable information for the design of trilayer Schottky devices.