Ultra-weak interlayer coupling in two-dimensional gallium selenide

文献情報

出版日 2016-09-01

DOI 10.1039/C6CP03806A

インパクトファクター 3.676

著者

R. Longuinhos, J. Ribeiro-Soares

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要旨

Beyond-graphene two-dimensional (2D) materials are envisioned as the future technology for optoelectronics, and the study of group IIIA metal monochalcogenides (GIIIAMMs) in 2D form is an emerging research field. Bulk gallium selenide (GaSe) is a layered material of this family which is widely used in nonlinear optics and is promising as a lubricant. The interlayer coupling in few-layer GaSe is currently unknown, and the stability of different polytypes is unclear. Here we use symmetry arguments and first-principles calculations to investigate the phase stability, interlayer coupling, and the Raman and infrared activity of the low-frequency shear and breathing modes expected in few-layer GaSe. Strategies to distinguish the number of layers and the β and ε polytypes are discussed. These symmetry results are valid for other isostructural few-layer GIIIAMM materials. Most importantly, by using a linear chain model, we show that the shear and breathing force constants reveal an ultra-weak interlayer coupling at the nanoscale in GaSe. These results suggest that β and ε few-layer GaSe show similar lubricant properties to those observed for few-layer graphite. Our analysis opens new perspectives about the study of interlayer interactions and their role in the mechanical and electrical properties of these new 2D materials.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.