Outstanding elastic, electronic, transport and optical properties of a novel layered material C<sub>4</sub>F<sub>2</sub>: first-principles study
Tuan V. Vu, Huynh V. Phuc, Sohail Ahmad, Vo Quang Nha, Chu Van Lanh, P. Raics, A. I. Kartamyshev, Khang D. Pham, Le C. Nhan, Nguyen N. Hieu
Abstract
Motivated by transformation of AB-stacking bilayer graphene into fluorinated single-layer diamond (fluorinated diamane C<sub>4</sub>F<sub>2</sub>), we investigate the structural, elastic, electronic, transport, and optical properties of fluorinated diamane C<sub>4</sub>F<sub>2</sub> using density functional theory.
Topics & Concepts
Materials scienceNanotechnologyBoron and Carbon Nanomaterials ResearchInorganic Fluorides and Related CompoundsHigh-pressure geophysics and materials