journal article·2025-07

Theoretical investigation of the scaling behavior of doped edge states in zigzag graphene nanoribbons

Carlos R. M. Cavalcante, Thiago Guerra, Sergio Azevedo

Applied Physics A· Volume 131· Issue 7
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Abstract

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OpenAlex topics: Graphene research and applications · Quantum and electron transport phenomena · 2D Materials and Applications

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References (38)

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1. M.I. Katsnelson, Graphene: carbon in two dimensions. Mater. Today 10(1), 20–27 (2007). https://doi.org/10.1016/S1369-7021(06)71788-610.1016/S1369-7021(06)71788-6 ↗
2. L. Zhang, J. Yuan, L. Shen, C. Fletcher, X. Zhang, T. Li, X. Dai, Y. Jiang, H. Li, Taper-shaped carbon based spin filter. Appl. Surf. Sci. 495, 143501 (2019). https://doi.org/10.1016/j.apsusc.2019.07.24310.1016/j.apsusc.2019.07.243 ↗
3. K.M. Janavika, R.P. Thangaraj, Graphene and its application: A review. Mater. Today Proc. (2023). https://doi.org/10.1016/j.matpr.2023.05.44610.1016/j.matpr.2023.05.446 ↗
4. A. Rasyotra, A. Thakur, B. Gaykwad, S.B. Chakrabarty, I. Bayad, J. Parikh, K. Jasuja, A review of low-cost approaches to synthesize graphene and its functional composites. J. Mater. Sci. 58, 4359–4383 (2023). https://doi.org/10.1007/s10853-023-08304-x10.1007/s10853-023-08304-x ↗
5. Y.-S. Liu, X. Wang, F. Chi, Non-magnetic doping induced a high spin-filter efficiency and large spin seebeck effect in zigzag graphene nanoribbons. J. Mater. Chem. C 1(48), 8046–8051 (2013). https://doi.org/10.1039/C3TC31537A10.1039/C3TC31537A ↗
6. H. Wan, X. Xiao, Y. Ang, Edge doping engineering of high-performance graphene nanoribbon molecular spintronic devices. Nanomaterials 12(1), 56 (2021). https://doi.org/10.3390/nano1201005610.3390/nano12010056 ↗
7. V. Saraswat, V. Saraswat, R.M. Jacobberger, R.M. Jacobberger, M.S. Arnold, M.S. Arnold, Materials science challenges to graphene nanoribbon electronics. ACS Nano 15(3), 3674–3708 (2021). https://doi.org/10.1021/acsnano.0c0783510.1021/acsnano.0c07835 ↗
8. S. Kumar, S. Pratap, V. Kumar, R.K. Mishra, J.S. Gwag, B. Chakraborty, Electronic, transport, magnetic, and optical properties of graphene nanoribbons and their optical sensing applications: A comprehensive review. Luminescence 38(7), 909–953 (2023). https://doi.org/10.1002/bio.433410.1002/bio.4334 ↗
9. W. Han, R.K. Kawakami, M. Gmitra, J. Fabian, Graphene spintronics. Nat. Nanotechnol. 9(10), 794–807 (2014). https://doi.org/10.1038/nnano.2014.21410.1038/nnano.2014.214 ↗
10. S.K. Ujjain, S.K. Ujjain, P. Ahuja, P. Ahuja, R.K. Sharma, R.K. Sharma, Graphene nanoribbon wrapped cobalt manganite nanocubes for high performance all-solid-state flexible supercapacitors. J. Mater. Chem. A 3(18), 9925–9931 (2015). https://doi.org/10.1039/C5TA00653H10.1039/C5TA00653H ↗
11. C. León, R. Melnik, Machine learning for shape memory graphene nanoribbons and applications in biomedical engineering. Bioengineering 9(3) (2022). https://doi.org/10.3390/bioengineering903009010.3390/bioengineering9030090 ↗
12. S.R. Das, S. Dutta, In: Hazra, A. Goswami, R. (eds.) Edge State Induced Spintronic Properties of Graphene Nanoribbons: A Theoretical Perspective, pp. 165–198. Springer, Singapore (2021). https://doi.org/10.1007/978-981-16-1052-3_810.1007/978-981-16-1052-3_8 ↗
13. B. Guo, Q. Liu, E. Chen, H. Zhu, L. Fang, J.R. Gong, Controllable N-doping of graphene. Nano Lett. 10(12), 4975–4980 (2010). https://doi.org/10.1021/nl103079j10.1021/nl103079j ↗
14. S.M. Avdoshenko, I.N. Ioffe, G. Cuniberti, L. Dunsch, A.A. Popov, Organometallic complexes of graphene: Toward atomic spintronics using a graphene web. ACS Nano 5(12), 9939–9949 (2011). https://doi.org/10.1021/nn203719a10.1021/nn203719a ↗
15. C. Jiang, X.F. Wang, M. Zhai, Spin negative differential resistance in edge doped zigzag graphene nanoribbons. Carbon 68, 406–412 (2014). https://doi.org/10.1016/j.carbon.2013.11.01710.1016/j.carbon.2013.11.017 ↗
16. S. Dutta, S.K. Pati, Half-metallicity in undoped and boron doped graphene nanoribbons in the presence of semilocal exchange-correlation interactions. J. Phys. Chem. B 112(5), 1333–1335 (2008). https://doi.org/10.1021/jp710637c10.1021/jp710637c ↗
17. F. Wu, E. Kan, H. Xiang, S. Wei, M. Whangbo, J. Yang, Magnetic states of zigzag graphene nanoribbons from first principles. Appl. Phys. Lett. 94, 223105 (2009). https://doi.org/10.1063/1.314785410.1063/1.3147854 ↗
18. R. Blackwell, R.E. Blackwell, F. Zhao, F. Zhao, E.F. Brooks, E.F. Brooks, J. Zhu, J. Zhu, I. Piskun, I. Piskun, S. Wang, S. Wang, A. Delgado, A. Delgado, Y.-L. Lee, Y.-L. Lee, S.G. Louie, S.G. Louie, F.R. Fischer, F.R. Fischer, Spin splitting of dopant edge state in magnetic zigzag graphene nanoribbons. Nature 600, 647–652 (2021). https://doi.org/10.1038/s41586-021-04201-y10.1038/s41586-021-04201-y ↗
19. J. Brede, N. Merino-Dìez, A. Berdonces-Layunta, S. Sanz, A. Domínguez-Celorrio, J. Lobo-Checa, Vilas-Varela, M. Peña, D. Frederiksen, T. Pascual, J. Oteyza, D.G. Serrate, D. Detecting the spin-polarization of edge states in graphene nanoribbons. Nat. Commun. 14, 6677 (2023). https://doi.org/10.1038/s41467-023-42436-710.1038/s41467-023-42436-7 ↗
20. S. Kumar, H. Sharma, Size dependent electronic and magnetic properties of ultra thin graphene nanoribbons. Mater. Res. Express 3(9), 095007 (2016). https://doi.org/10.1088/2053-1591/3/9/09500710.1088/2053-1591/3/9/095007 ↗
21. H. Karakachian, H. Karakachian, T.T.N. Nguyen, T.T.N. Nguyen, J. Aprojanz, J. Aprojanz, A. Zakharov, A. Zakharov, R. Yakimova, R. Yakimova, P. Rosenzweig, P. Rosenzweig, C. Polley, C.M. Polley, T. Balasubramanian, T. Balasubramanian, C. Tegenkamp, C. Tegenkamp, S.R. Power, S.R. Power, U. Starke, U. Starke, One-dimensional confinement and width-dependent bandgap formation in epitaxial graphene nanoribbons. Nat. Commun. 11, 6380 (2020). https://doi.org/10.1038/s41467-020-19051-x10.1038/s41467-020-19051-x ↗
22. A. Sampaio-Silva, D.F. Ferreira, C.A.B. Silva, J. Del Nero, Hydrogenation, width and strain effect in Me-graphene devices. Comput. Mater. Sci. 210, 111456 (2022). https://doi.org/10.1016/j.commatsci.2022.11145610.1016/j.commatsci.2022.111456 ↗
23. E.A.V. Mota, C.A.B. Silva, J. Del Nero, Theoretical investigation of width effects in the electronic and transport properties of carbon nanoribbons with 5–8-5 carbon rings: a first-principles study. J. Mater. Chem. C 12(4), 1459–1473 (2024). https://doi.org/10.1039/D3TC03701K10.1039/D3TC03701K ↗
24. W. Kohn, L.J. Sham, Self-consistent equations including exchange and correlation effects. Phys. Rev. 140(4A), 1133–1138 (1965). https://doi.org/10.1103/PhysRev.140.A113310.1103/PhysRev.140.A1133 ↗
25. J.M. Soler, E. Artacho, J.D. Gale, A. García, J. Junquera, P. Ordejón, D. Sánchez-Portal, The siesta method for ab initio order-n materials simulation. J. Phys. Condens. Matter 14(11), 2745–2779 (2002). https://doi.org/10.1088/0953-8984/14/11/30210.1088/0953-8984/14/11/302 ↗
26. X. Qin, H. Shang, H. Xiang, Z. Li, J. Yang, Honpas: A linear scaling open-source solution for large system simulations. Int. J. Quantum Chem. 115(10), 647–655 (2015). https://doi.org/10.1002/qua.2483710.1002/qua.24837 ↗
27. J.P. Perdew, K. Burke, M. Ernzerhof, Generalized gradient approximation made simple. Phys. Rev. Lett. 77(18), 3865–3868 (1996). https://doi.org/10.1103/PhysRevLett.77.386510.1103/PhysRevLett.77.3865 ↗
28. A.V. Krukau, A.V. Krukau, O.A. Vydrov, O.A. Vydrov, A.F. Izmaylov, A.F. Izmaylov, G.E. Scuseria, G.E. Scuseria, Influence of the exchange screening parameter on the performance of screened hybrid functionals. J. Chem. Phys. 125(22), 224106 (2006). https://doi.org/10.1063/1.240466310.1063/1.2404663 ↗
29. N. Troullier, J.L. Martins, Efficient pseudopotentials for plane-wave calculations. Phys. Rev. B 43(3), 1993–2006 (1991). https://doi.org/10.1103/PhysRevB.43.199310.1103/PhysRevB.43.1993 ↗
30. L. Kleinman, D.M. Bylander, Efficacious form for model pseudopotentials. Phys. Rev. Lett. 48(20), 1425–1428 (1982). https://doi.org/10.1103/PhysRevB.43.199310.1103/PhysRevB.43.1993 ↗
31. T. Guerra, J.M. Pontes, D.S. Gomes, S. Azevedo, A.K.M. Pinto, L.D. Machado, A first-principle study of $$\alpha $$- and $$\gamma $$-graphyne and its BN and BC$$_2$$N analogs. Comput. Mater. Sci. 234, 112760 (2024). https://doi.org/10.1016/j.commatsci.2023.11276010.1016/j.commatsci.2023.112760 ↗
32. S. Singh, I. Kaur, Bandgap engineering in armchair graphene nanoribbon of zigzag-armchair-zigzag based nano-fet: A dft investigation. Phys. E Low Dimens. Syst. Nanostruct. 118, 113960 (2020). https://doi.org/10.1016/j.physe.2020.11396010.1016/j.physe.2020.113960 ↗
33. J. Kunstmann, C. Ozdougan, A. Quandt, H. Fehske, Stability of edge states and edge magnetism in graphene nanoribbons. Phys. Rev. B 83, 045414 (2010). https://doi.org/10.1103/PhysRevB.83.04541410.1103/PhysRevB.83.045414 ↗
34. W. Jaskolski, A. Ayuela, Coulomb edge effects in graphene nanoribbons. Solid State Commun. 196, 1–7 (2014). https://doi.org/10.1016/j.ssc.2014.07.00610.1016/j.ssc.2014.07.006 ↗
35. Y.-W. Son, M.L. Cohen, S.G. Louie, Energy gaps in graphene nanoribbons. Phys. Rev. Lett. 97(21), 216803 (2006). https://doi.org/10.1103/PhysRevLett.97.21680310.1103/PhysRevLett.97.216803 ↗
36. M. Zarea, N. Sandler, Rashba spin-orbit interaction in graphene and zigzag nanoribbons. Phys. Rev. B 79(16), 165442 (2009). https://doi.org/10.1103/PhysRevB.79.16544210.1103/PhysRevB.79.165442 ↗
37. R. Miwa, R. Veiga, G.P. Srivastava, Structural, electronic, and magnetic properties of pristine and oxygen-adsorbed graphene nanoribbons. Appl. Surf. Sci. 256, 5776–5782 (2010). https://doi.org/10.1016/J.APSUSC.2010.03.09410.1016/J.APSUSC.2010.03.094 ↗
38. G.Z. Magda, X. Jin, I. Hagymási, P. Vancsó, Z. Osváth, P. Nemes-Incze, C. Hwang, L.P. Biro, L. Tapasztó, Room-temperature magnetic order on zigzag edges of narrow graphene nanoribbons. Nature 514(7524), 608–611 (2014). https://doi.org/10.1038/nature1383110.1038/nature13831 ↗