%0 Journal Article %1 WOS:000473317000005 %A de Vasconcelos, Fabricio Morais %A Filho, Antonio Gomes Souza %A Meunier, Vincent %A Girao, Eduardo Costa %C ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA %D 2019 %I AMER PHYSICAL SOC %J PHYSICAL REVIEW MATERIALS %K imported %N 6 %R 10.1103/PhysRevMaterials.3.066002 %T Electronic properties of tetragraphene nanoribbons %V 3 %X Tetragraphene is a theoretically predicted quasi-2D carbon allotrope featuring a combination of square and hexagonal rings. This material is semiconducting and presents highly anisotropic electronic properties. Motivated by the fact that quasi-1D nanocarbon systems can present properties remarkably different from their 2D counterparts, we propose to study tetragraphene-based nanoribbons and investigate their stability and their electronic and magnetic properties using quantum-based computational methods. We show how the electronic structure of these tetragraphene nanoribbons (TGNRs) depends on chirality, width, and the details of edge reconstruction. We predict the existence of different hybridization states at the edges of these systems, thus demonstrating a set of versatile electronic behaviors. In particular, edge hybridization is found to induce band gap modulation, as well as the emergence of magnetic edge states. Our results suggest that TGNRs can be prototypes for future applications in nanoelectronics.

@article{WOS:000473317000005, abstract = {Tetragraphene is a theoretically predicted quasi-2D carbon allotrope featuring a combination of square and hexagonal rings. This material is semiconducting and presents highly anisotropic electronic properties. Motivated by the fact that quasi-1D nanocarbon systems can present properties remarkably different from their 2D counterparts, we propose to study tetragraphene-based nanoribbons and investigate their stability and their electronic and magnetic properties using quantum-based computational methods. We show how the electronic structure of these tetragraphene nanoribbons (TGNRs) depends on chirality, width, and the details of edge reconstruction. We predict the existence of different hybridization states at the edges of these systems, thus demonstrating a set of versatile electronic behaviors. In particular, edge hybridization is found to induce band gap modulation, as well as the emergence of magnetic edge states. Our results suggest that TGNRs can be prototypes for future applications in nanoelectronics.}, added-at = {2022-05-23T20:00:14.000+0200}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, author = {de Vasconcelos, Fabricio Morais and Filho, Antonio Gomes Souza and Meunier, Vincent and Girao, Eduardo Costa}, biburl = {https://www.bibsonomy.org/bibtex/2f263b9943788c9df480bf2917e4d1aad/ppgfis_ufc_br}, doi = {10.1103/PhysRevMaterials.3.066002}, interhash = {7f0f3501bcb8b47cc4e8293507744684}, intrahash = {f263b9943788c9df480bf2917e4d1aad}, issn = {2475-9953}, journal = {PHYSICAL REVIEW MATERIALS}, keywords = {imported}, number = 6, publisher = {AMER PHYSICAL SOC}, pubstate = {published}, timestamp = {2022-05-23T20:00:14.000+0200}, title = {Electronic properties of tetragraphene nanoribbons}, tppubtype = {article}, volume = 3, year = 2019 }