Group theory for structural analysis and lattice vibrations in phosphorene systems
Author(s)Ribeiro-Soares, J.; Almeida, R. M.; Jorio, A.; Dresselhaus, Mildred; Cancado, L. G.
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Group theory analysis for two-dimensional elemental systems related to phosphorene is presented, including (i) graphene, silicene, germanene, and stanene; (ii) their dependence on the number of layers; and (iii) their two possible stacking arrangements. Departing from the most symmetric D[1 over 6h] graphene space group, the structures are found to have a group-subgroup relation, and analysis of the irreducible representations of their lattice vibrations makes it possible to distinguish between the different allotropes. The analysis can be used to study the effect of strain, to understand structural phase transitions, to characterize the number of layers, crystallographic orientation, and nonlinear phenomena.
DepartmentMassachusetts Institute of Technology. Department of Electrical Engineering and Computer Science; Massachusetts Institute of Technology. Department of Physics
Physical Review B
American Physical Society
Ribeiro-Soares, J., R. M. Almeida, L. G. Cancado, M. S. Dresselhaus, and A. Jorio. “Group Theory for Structural Analysis and Lattice Vibrations in Phosphorene Systems.” Phys. Rev. B 91, no. 20 (May 2015). © 2015 American Physical Society
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