Novel two-dimensional square-structured diatomic group-IV materials: the first-principles prediction
Sholihun Sholihun,
Diki Purnawati,
Juan Paolo Bermundo
et al.
Abstract:This work presents a study of novel two-dimensional (2D) square-structured diatomic group-IV materials through density functional theory calculations. Our optimized structures have a planar structure. Moreover, we evaluate the structural stabilities and electronic properties of six square-structured 2D-diatomic XY (X, Y = C, Si, Ge, Sn) materials. In comparison, we also evaluate the honeycomb structure of those materials. The Birch-Murnaghan equation of states (BM-EOS) curves and cohesive energy evaluations in… Show more
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