Structural reconstruction and visible-light absorption versus internal electrostatic field in two-dimensional GaN–ZnO alloys
Structural reconstruction and visible-light absorption versus internal electrostatic field in two-dimensional GaN–ZnO alloys
复制标题
二维 GaN-ZnO 合金的结构重建和可见光吸收与内部静电场的关系
DOI：
10.1039/d1nr02548a
复制
发表时间：
2021
期刊：
影响因子：
6.7
通讯作者：
Yifeng Duan
中科院分区：
文献类型：
--
作者：
Hanpu Liang;Yifeng Duan
GaN-ZnO合金由于其在可见光范围内的突然红移，在光电应用方面比其对应物更有前途。然而，由于表面态电荷密度的限制，强的内部静电场（IEF）严重阻碍了光电性能的进一步提高。我们指出了一种结构模型，通过克服二维（2D）非等价合金中IEF的瓶颈，极大地提高了可见光吸收。小说海克尔（8| 4）具有接近于零的IEF的结构显示出比传统纤锌矿结构更好的光电性能。同时，我们还探讨了厚度驱动的从平面六角到8角的结构转变|4和纤锌矿配置。可见光吸收效率从纤锌矿体到纤锌矿体8迅速上升|4到2D 8| 4和具有不同层8的基于MoS 2的异质结构|4种配置。异质界面耦合是进一步降低IEF的有效途径，从而通过增加8个带边态的布居来显著提高可见光吸收。|4配置。我们建议，8| 4结构的GaN-ZnO合金比二元结构的GaN-ZnO合金更适合于各种光电应用。
GaN–ZnO alloys are more promising semiconductors than their counterparts for optoelectronic applications due to the abrupt red shift in the visible-light range. Unfortunately, the strong internal electrostatic field (IEF) seriously hinders to further improve the optoelectronic performance due to the charge density.of surface states. We point out a structural model to extremely improve the visible-light absorption by overcoming the bottleneck of the IEF in the two-dimensional (2D) nonisovalent alloys. The novel haeckelite (8|4) configuration with the nearly zero IEF shows much better optoelectronic performances than the conventional wurtzite configuration. Meanwhile, we explore the thickness-driven structural transitions from the planar hexagonal to the 8|4 and to the wurtzite configurations. The visible-light absorption efficiency quickly rises up from the bulk wurtzite to the bulk 8|4 to the 2D 8|4 and to the MoS2-based.heterostructures with the different-layer 8|4 configurations. The heterointerfacial coupling is an effective way to further reduce the IEF and hence to significantly improve the visible-light absorptions by enlarging the population of band edge states in the 8|4 configuration. We suggest that the 8|4 configuration is more prospective for diverse optoelectronic applications in 2D GaN–ZnO alloys than in binary counterparts.