Unusual features of nitrogen substitutions in silicene

Abstract

The quasiparticle properties resulting from charge and spin are clearly identified in nitrogen-substituted silicenes, for which a theoretical framework is successfully developed from first-principles calculations.

Fundamental Properties of Transition-Metals-Adsorbed Germanene: A DFT Study

“…Following the initial discovery of graphene by mechanical exfoliation of a graphite surface, other group-IV two-dimensional (2D) honeycomb lattice systems such as silicene, germanene, and stanene have attracted considerable attention in theory [1][2][3][4][5] and experiments [6][7][8][9]. It is known that C, Si, Ge, Sn, and Pb belong to the same group IV in the periodic table that can generate the σ, π, and sp 3 chemical bonds because they possess (2s, 2p x , 2p y , 2p z ), (3s, 3p x , 3p y , 3p z ), (4s, 4p x , 4p y , 4p z ), (5s, 5p x , 5p y , 5p z ), and (6s, 6p x , 6p y , 6p z ) orbitals, respectively.…”