Rediscovering the MP15 Family (M = Li, Na, and K) as an Anisotropic Layered Semiconducting Material.
Rediscovering the MP15 Family (M = Li, Na, and K) as an Anisotropic Layered Semiconducting Material.
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DOI：
10.1021/acs.jpclett.7b02817
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发表时间：
2017-12
期刊：
影响因子：
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通讯作者：
Yanhan Yang;N. Tian;Yongzhe Zhang;Danmin Liu;Dong Zhang;K. Chang;Hui Yan
中科院分区：
文献类型：
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作者：
Yanhan Yang;N. Tian;Yongzhe Zhang;Danmin Liu;Dong Zhang;K. Chang;Hui Yan
利用第一性原理讨论了二元碱金属磷化物MP 15（M = Li，Na，K）的层状结构和面内各向异性。首次报道了它们的厚度依赖能带结构。此外，输运研究表明，单层MP 15表现出大的载流子迁移率（电子和空穴）的各向异性比（101-102量级）之间的两个特殊的晶体方向，这是记录中的高值的报告的二维各向异性材料。此外，在环境条件下的化学稳定性和结合能，这涉及到实验剥离也进行了研究。层状半导体MP 15家族的高各向异性可以为各向异性光学、电子学、光电子器件和能量存储应用开辟相当大的前景。
The binary alkaline metal phosphides family MP15 (M = Li, Na, K) exhibiting a layered structure nature and in-plane anisotropy is discussed through first principles. Their thickness-dependent bandstructures are reported for the first time. Furthermore, the transport studies demonstrate that single-layer MP15 exhibits a large anisotropic ratio for carrier mobility (both electron and hole) (∼101-102 magnitude) between two special crystal directions, which is the record high value among the reported two-dimensional anisotropic materials. Additionally, the chemical stability under ambient conditions and the binding energy which relates to experimental exfoliation are also investigated. The high anisotropy of the layered semiconducting MP15 family could open up considerable promise for anisotropic optics, electronics, optoelectronics devices, and energy storage applications.