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Atomically thin, two-dimensional (2D) indium selenide (InSe) has attracted considerable attention due to large tunability in the band gap (from 1.4 to 2.6 eV) and high carrier mobility. The intriguingly high dependence of band gap on layer thickness may lead to novel device applications, although its origin remains poorly understood, and generally attributed to quantum confinement effect. In this work, we demonstrate via first-principles calculations that strong interlayer coupling may be mainly responsible for this phenomenon, especially in the fewer-layer region, and it could also be an essential factor influencing other material properties of {beta}-InSe and {gamma}-InSe. Existence of strong interlayer coupling manifests itself in three aspects: (i) indirect-to-direct band gap transitions with increasing layer thickness; (ii) fan-like frequency diagrams of the shear and breathing modes of few-layer flakes; (iii) strong layer-dependent carrier mobilities. Our results indicate that multiple-layer InSe may be deserving of attention from FET-based technologies and also an ideal system to study interlayer coupling, possibly inherent in other 2D materials.
It was generally assumed that weak van der Waals interactions exist between neighboring layers in the two-dimensional group-IV chalcogenides. Using PbSe as a prototypal example, however, we find additional strong coupling between the Pb-Pb layers, as
By means of ab initio calculations we investigate the possibility of existence of a boron nitride (BN) porous two-dimensional nanosheet which is geometrically similar to the carbon allotrope known as biphenylene carbon. The proposed structure, which
Interlayer coupling between individual unit layers has played a critical role for layer-dependent properties in two-dimensional (2D) materials. While recent studies have revealed the significant degrees of interlayer interactions, the overall electro
The emergence of two-dimensional (2D) materials has attracted a great deal of attention due to their fascinating physical properties and potential applications for future nanoelectronic devices. Since the first isolation of graphene, a Dirac material
Crystal phase is well studied and presents a periodical atom arrangement in three dimensions lattice, but the amorphous phase is poorly understood. Here, by starting from cage-like bicyclocalix[2]arene[2]triazines building block, a brand-new 2D MOF i