We introduce an effective tight-binding model to discuss penta-graphene and present an analytical solution. This model only involves the pi-orbitals of the sp(2)-hybridized carbon atoms and reproduces the two highest valence bands. By introducing energy-dependent hopping elements, originating from the elimination of the sp(3)-hybridized carbon atoms, also the two lowest conduction bands can be well approximated - but only after the inclusion of a Hubbard onsite interaction as well as of assisted hopping terms. The eigenfunctions can be approximated analytically for the effective model without energy-dependent hopping elements and the optical absorption is discussed. We find large isotropic absorption ranging from 7.5% up to 24% for transitions at the Gamma-point.
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Can Tho Univ, Grad Sch, Can Tho, Vietnam
Kien Giang Univ, Fac Engn & Technol, Kien Giang, VietnamCan Tho Univ, Grad Sch, Can Tho, Vietnam
Nguyen, Thi-Kim-Quyen
Vu, Thanh-Tra
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Can Tho Univ, Sch Educ, Dept Phys, Can Tho, VietnamCan Tho Univ, Grad Sch, Can Tho, Vietnam
Vu, Thanh-Tra
Tran, Van-Truong
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Sorbonne Univ, Univ Pierre & Marie Curie UPMC, IMPMC, CNRS UMR 7590,IRD UMR 206, Case 115,4 Pl Jussieu, F-75252 Paris 05, FranceCan Tho Univ, Grad Sch, Can Tho, Vietnam
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Univ Medellin, Fac Ciencias Basicas, Medellin, ColombiaUniv Tecn Federico Santa Maria, Dept Fis, Casilla 110-V, Valparaiso, Chile
Correa, Julian
Chico, Leonor
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CSIC, ICMM, Mat Sci Factory, C Sor Juana Ines de la Cruz 3, Madrid 28049, SpainUniv Tecn Federico Santa Maria, Dept Fis, Casilla 110-V, Valparaiso, Chile