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SnxPy Monolayers: a New Type of Two-Dimensional Materials with High Stability, Carrier Mobility, and Magnetic Properties.
Nanoscale Research Letters ( IF 5.418 ) Pub Date : 2020-07-29 , DOI: 10.1186/s11671-020-03383-0
Yan-Mei Dou 1 , Chang-Wen Zhang 1 , Ping Li 1 , Pei-Ji Wang 1
Affiliation  

Searching for two-dimensional (2D) group V materials with ferromagnetism, elastic anisotropy, and carrier mobility and tunable band structure is one key to developing constantly developing nanodevices. The 2D monolayers SnxPy with x/y (1/1, 1/2, 1/3, and so on) coordination number are studied based on the particle-swarm optimization technique combined with the density functional theory optimization. Its thermal stability can be confirmed by molecular dynamics at 70K and 300K, indicating that the novel 2D materials have a stable existence. The electronic band structures of four stable structures suggest that all the monolayers of SnxPy are fully adjustable and flexible tunable band gaps semiconductors under the biaxial strain. The monolayer of P\( \overline{4}{2}_1 \)m-SnP2 with unique valence band structure can go from nonmagnetic to ferromagnetic by the hole doping because of the “Stoner criterion,” and Pmc21-SnP2 is a direct-like gap semiconductor with in-plane elastic anisotropy to possess a high electron mobility as high as 800 cm2V−1 s−1 along the kb direction, which is much higher than that of MoS2 (∼ 200 cm2V−1 s−1). The optical absorption peak of the material is in the ultraviolet region. These discoveries expand the potential applications of the emerging field of 2D SnxPy structures in nanoelectronics.



中文翻译:

SnxPy 单分子层:一种具有高稳定性、载流子迁移率和磁性的新型二维材料。

寻找具有铁磁性、弹性各向异性、载流子迁移率和可调谐能带结构的二维(2D)V族材料是不断发展纳米器件的关键之一。基于粒子群优化技术结合密度泛函理论优化,研究了配位数为x / y 1/1、1/2、1/3等)的二维单分子层Sn x P y 。其在70K和300K下的热稳定性可以通过分子动力学得到证实,表明新型二维材料具有稳定的存在。四种稳定结构的电子能带结构表明,所有单层Sn x P y都是双轴应变下完全可调且灵活的可调谐带隙半导体。单层P \( \overline{4}{2}_1 \) m-SnP 2具有独特的价带结构,由于“斯通纳准则”,可以通过空穴掺杂从非磁性变为铁磁性,并且Pmc2 1 -SnP 2是一种具有面内弹性各向异性的类直接带隙半导体,沿k b方向具有高达800 cm 2 V -1  s -1的高电子迁移率,远高于MoS 2 (∼ 200 cm 2 V -1  s -1 )。该材料的光吸收峰位于紫外区。这些发现拓展了二维 Sn x P y结构在纳米电子学领域的潜在应用。

更新日期:2020-07-29
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