论文标题
二维超级带隙材料H-Beo的电子传输
Electronic Transport of Two-Dimensional Ultrawide Bandgap Material h-BeO
论文作者
论文摘要
具有带镜的二维超级带隙材料明显宽于3.4 eV，在纳米高功率半导体，深度硫化光光电等方面具有令人信服的潜在优势。最近，实验中已经合成了二维分层的H-Beo。在目前的工作中，第一原理计算预测单层H-BEO具有HSE功能的间接带隙为7.05 eV。超速带隙来自极性H-Beo中两个原子电负性差异。并且还使用Boltzmann运输理论系统地研究了电子传输性能。 H-Beo的极性声子可以生成宏观极化场，并通过Frohlich的相互作用强烈地与电子相结合。在室温下，单层H-Beo受电子散射的限制，单层H-BEO的迁移率为473 cm^2/vs。进一步的研究表明，双轴拉伸应变可以降低电子有效质量并增强电子偶联强度。合适的应变可以在室温下促进〜1000 cm^2/vs的迁移率。
Two-dimensional ultrawide bandgap materials, with bandgaps significantly wider than 3.4 eV, have compelling potential advantages in nano high-power semiconductor, deep-ultraviolet optoelectronics, and so on. Recently, two-dimensional layered h-BeO has been synthesized in the experiments. In the present work, the first-principles calculations predict that monolayer h-BeO has an indirect bandgap of 7.05 eV with the HSE functional. The ultrawide bandgap results from the two atomic electronegativity difference in the polar h-BeO. And the electronic transport properties are also systematically investigated by using the Boltzmann transport theory. The polar LO phonons of h-BeO can generate the macroscopic polarization field and strongly couple to electrons by the Frohlich interaction. Limited by the electron-phonon scattering, monolayer h-BeO has a high mobility of 473 cm^2/Vs at room temperature. Further studies indicate that the biaxial tensile strain can reduce the electronic effective mass and enhance the electron-phonon coupling strength. The suitable strain can promote the mobility to ~1000 cm^2/Vs at room temperature.
