当前位置：
X-MOL 学术
›
Phys. Rev. Appl.
›
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.)
Band Alignment in Monolayer Boron Phosphide with JanusMoSSeHeterobilayers under Strain and Electric Field
Physical Review Applied ( IF 3.8 ) Pub Date : 2021-08-02 , DOI: 10.1103/physrevapplied.16.024001 Y. Mogulkoc 1 , R. Caglayan 1 , Y.O. Ciftci 2
Physical Review Applied ( IF 3.8 ) Pub Date : 2021-08-02 , DOI: 10.1103/physrevapplied.16.024001 Y. Mogulkoc 1 , R. Caglayan 1 , Y.O. Ciftci 2
Affiliation
|
Recent studies have revealed that Janus structures and heterobilayers made from them might have properties superior to those of two-dimensional (2D) materials. We construct 2D monolayer boron phosphide (MBP)/ and /MBP heterobilayers and describe comprehensively their optoelectronic properties in the presence of biaxial in-plane and uniaxial out-of-plane strain and the effects of electric fields using first-principles methods. The electronic bands of both MBP/ and /MBP heterobilayers display a peculiarity in the direct gap, with different band-gap values in the pristine forms. Remarkably, it is shown that different varieties of band alignments are induced for different orders of the van der Waals (vdW) heterobilayers. Electric fields and in-plane and out-of-plane strain give rise to important changes in the electronic and optical properties. The band alignments can transform from type I to type II under the influence of an electric field and strain. The main absorption peaks of pristine forms of both heterobilayers have in the visible region (approximately 2.67 eV), while in the presence of biaxial strain are redshifted. Since the absorption peaks of the pristine forms of the heterobilayers are in the visible region, the heterobilayers recommended here can be used in photovoltaic applications, and the presence of effects of external electric fields and strain promises functional optoelectronic devices.
中文翻译：
单层磷化硼与 JanusMoSSe 异双层在应变和电场下的能带排列
最近的研究表明，Janus 结构和由它们制成的异质双层可能具有优于二维 (2D) 材料的性能。我们构建了二维单层磷化硼 (MBP)/ 和 /MBP 异质双层，并使用第一性原理方法全面描述了在双轴面内和单轴面外应变和电场影响下它们的光电特性。MBP/ 和 /MBP 异质双层在直接间隙中显示出特殊性，在原始形式中具有不同的带隙值。值得注意的是，研究表明，对于范德华 (vdW) 异质双层的不同阶数，诱导了不同种类的带排列。电场和面内和面外应变引起电子和光学特性的重要变化。在电场和应变的影响下，能带排列可以从 I 型转变为 II 型。两种异质双层的原始形式的主要吸收峰都在可见光区（约 2.67 eV），而在双轴应变存在下则发生红移。由于原始形式的异质双层的吸收峰在可见光区，这里推荐的异质双层可用于光伏应用，
更新日期：2021-08-02
中文翻译：
单层磷化硼与 JanusMoSSe 异双层在应变和电场下的能带排列
最近的研究表明，Janus 结构和由它们制成的异质双层可能具有优于二维 (2D) 材料的性能。我们构建了二维单层磷化硼 (MBP)/ 和 /MBP 异质双层，并使用第一性原理方法全面描述了在双轴面内和单轴面外应变和电场影响下它们的光电特性。MBP/ 和 /MBP 异质双层在直接间隙中显示出特殊性，在原始形式中具有不同的带隙值。值得注意的是，研究表明，对于范德华 (vdW) 异质双层的不同阶数，诱导了不同种类的带排列。电场和面内和面外应变引起电子和光学特性的重要变化。在电场和应变的影响下，能带排列可以从 I 型转变为 II 型。两种异质双层的原始形式的主要吸收峰都在可见光区（约 2.67 eV），而在双轴应变存在下则发生红移。由于原始形式的异质双层的吸收峰在可见光区，这里推荐的异质双层可用于光伏应用，
京公网安备 11010802027423号