Gallium Thiophosphate: An Emerging Bidirectional Auxetic Two-Dimensional Crystal with Wide Direct Band Gap,The Journal of Physical Chemistry Letters

当前位置： X-MOL 学术 › J. Phys. Chem. Lett. › 论文详情

Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)

Gallium Thiophosphate: An Emerging Bidirectional Auxetic Two-Dimensional Crystal with Wide Direct Band Gap
The Journal of Physical Chemistry Letters ( IF 4.8 ) Pub Date : 2019-07-18 00:00:00 , DOI: 10.1021/acs.jpclett.9b01611
Jun-Hui Yuan ₁ , Kan-Hao Xue _{1,

2} , Jia-Fu Wang ₃ , Xiang-Shui Miao ₁

Affiliation

Two-dimensional (2D) materials with negative Poisson’s ratio (NPR) attract considerable attention because of their exotic mechanical properties. We propose a new 2D material, monolayer GaPS₄, which shows NPR for both in-plane (−0.033) and out-of-plane (−0.62) directions. Such coexistence of NPR in two distinct directions could be explained by its corner- and edge-shared tetrahedra pucker structure. GaPS₄ has an ultralow cleavage energy of 0.23 J m^–2 according to our calculation, such that exfoliation of the bulk material is feasible for the preparation of mono- and few-layer GaPS₄. Direct wide band gap of 3.55 eV and moderate electron mobility have been revealed in monolayer GaPS₄, while the direct gap feature is robust within a strain range of −6% to 6%. These findings render 2D GaPS₄ a promising candidate for applications in nanoelectronics and low-dimensional electromechanical devices.

中文翻译：

硫代磷酸镓：具有宽直接带隙的新兴双向辅助二维晶体

具有负泊松比（NPR）的二维（2D）材料由于其奇特的机械性能而引起了广泛的关注。我们提出了一种新的2D材料单层GaPS ₄，该材料在面内（-0.033）和面外（-0.62）方向均显示NPR。NPR在两个不同方向上的这种共存可以通过其角和边共享的四面体褶皱结构来解释。根据我们的计算，GaPS ₄具有0.23 J m ^–2的超低裂解能，因此散装材料的剥离对于制备单层和多层GaPS ₄是可行的。在单层GaPS _4中发现了3.55 eV的直接宽带隙和适度的电子迁移率，而直接间隙特征在-6％至6％的应变范围内则很健壮。这些发现使2D GaPS ₄成为在纳米电子学和低维机电设备中应用的有前途的候选者。

更新日期：2019-07-18

点击分享查看原文

点击收藏

阅读更多本刊新发论文本刊介绍/投稿指南