Abstract:Pentagraphene frameworks with sp 2 carbon atoms have significance in fundamental research studies and material science. Here, we find pentagon ribbons stacked in an AB sequence at the atomic scale within alkali metal atoms. A Pnma phase is favored on the Gibbs free energy landscape at moderate pressures and finite temperatures. Strong electron localization, covalent interactions, weak van der Waals interactions, and electronic repulsive interactions coexist in this ionic structure. Electronic bands with narrow… Show more
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