Theoretical study of carbon double cones

Lopes, Mirleide Dantas; Azevedo, S.; Moraes, Fernando; Machado, M.

doi:10.1140/epjb/e2014-50618-x

Cited by 6 publications

(5 citation statements)

References 32 publications

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“…On the other hand, the Schrödinger equations for the same problems that were obtained in [23] do not preserve the Noether symmetries of the classical problem and therefore yield results quite different from the ones we have derived here. Further insight is needed especially from the experimentalists as stated in [34]. search through PRIN 2010-2011, Prot.…”

Section: Discussionmentioning

confidence: 99%

Quantization of the dynamics of a particle on a double cone by preserving Noether symmetries

Gubbiotti¹,

Nucci²

2021

JNMP

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The classical quantization of the motion of a free particle and that of an harmonic oscillator on a double cone are achieved by a quantization scheme [M. C. Nucci, Theor. Math. Phys. 168 (2011) 994], that preserves the Noether point symmetries of the underlying Lagrangian in order to construct the Schrödinger equation. The result is different from that given in [K. Kowalski, J. Rembielński, Ann. Phys. 329 (2013) 146]. A comparison of the different outcomes is provided.Keywords: Lie and Noether symmetries; motion of a particle on a double cone; classical quantization.1 Such as normal-ordering [4,5] and Weyl quantization [6].

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Section: Discussionmentioning

confidence: 99%

Quantization of the dynamics of a particle on a double cone by preserving Noether symmetries

Gubbiotti¹,

Nucci²

2021

JNMP

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“…In this paper, we focus our attention on graphene conical surfaces with one and two nappes. The dynamics of quantum particles on this kind of surface has been studied in recent years due to its high dependence on the angular momentum [26] and also to the possibility of experimental realization [28].…”

Section: The Continuum Model For a Double Carbon Nanoconementioning

confidence: 99%

“…Even though these studies have shown interesting properties for the double cone structure, the literature for carbon double nanocones is still very scarce. In a computational simulation of carbon double nanocones it was indicated that its experimental realization is possible, since its formation energy is slightly lower than the energy of a single cone [28]. These results motivated us to explore other possible conical defects in carbon structures and investigate their correspondent electronic properties.…”

Section: Introductionmentioning

confidence: 99%

Electronic properties of single and double napped carbon nanocones

et al. 2019

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In this paper we study the electronic properties of carbon nanocones with one and two nappes, with pentagonal and heptagonal defects in their lattices. We use the continuum model, which is based on a Dirac-like Hamiltonian with the topological defects described by localized non-Abelian gauge field fluxes. We develop a geometrical approach that can describe the two nappes of the double cone surface simultaneously, by extending the radial coordinate to the complete set of real numbers. We show that, for some combinations of different nanocones, forming the double conical surface, the local density of states near the apex of the cone does not vanish at the Fermi energy and presents a strong dependence on the angular momentum. We also obtain the energy spectrum for finite-sized nanocones and verify that it depends on the choice of topological defect on the surface, which suggests that a double nanocone can be used to control the electronic transport in carbon-based electronic devices.

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“…Desta forma, se retirarmos uma região π/3 do plano, estaremos inserindo uma disclinação positiva de 60º e formaremos um cone com um pentágono no vértice. Se ao invés de retirarmos, inserirmos um setor π/3, estaremos formando uma disclinação negativa de 60º e aparecerá um heptágono na estrutura (Lopes et al 2014). Dependendo da quantidade de setores π/3 retirados, diferentes nanocones podem ser obtidos, porém, neste estudo, todos os nanocones investigados possuem disclinação positiva de 60º.…”

Section: Estruturas Investigadasunclassified

Estudo teórico sobre as propriedades eletrônicas de nanoestruturas de Carbono e H-BN

Bernardo¹,

Lopes²,

Azevedo

2018

PECEN

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O estudo dos nanomateriais tem se consolidado como uma nova revolução no meio científico. Dentre as nanoestruturas mais investigadas atualmente encontram-se as derivadas do carbono e do nitreto de boro hexagonal (h-BN). O grafeno, por exemplo, trata-se de uma rede bidimensional hexagonal, formada exclusivamente por átomos de carbono. Neste sentido, investigamos a energia de formação e a estrutura eletrônica de um plano de grafeno, um plano de h-BN, bem como, quatro nanocones, com disclinação de 60° cada, sendo dois deles derivados do grafeno e dois derivados do h-BN. Tais investigações foram feitas por meio do Código SIESTA, um software livre que utiliza métodos de primeiros princípios, baseados na Teoria do Funcional da Densidade (DFT), como parâmetro para sua execução. A partir das observações realizadas foi possível identificar quais nanoestruturas apresentaram maior estabilidade, a depender da organização atômica de suas respectivas redes cristalinas. Nos nanomateriais investigados percebemos que, tanto a energia de formação por átomo, quanto à densidade eletrônica, variaram sensivelmente em função dos diferentes arranjos atômicos. Com relação à condutividade elétrica, as estruturas pesquisadas apresentaram boa concordância com a literatura, reafirmando assim a aplicabilidade destes nanomateriais em dispositivos eletrônicos.Palavras chave: Nanomateriais, energia de formação, densidade eletrônica, estabilidade.Abstract: The study of nanomaterials has consolidated as a new revolution in the scientific environment. Among the most investigated nanostructures currently are the derivatives of carbon and hexagonal boron nitride (h-BN). Graphene for example it is a hexagonal two-dimensional lattice formed only by carbon atoms. In this sense, we investigated the formation energy and the electronic structure of a graphene plane, a h-BN plane, as well as, four nanocones, with disclination of 60° each, two of them derived from graphene and two derived from h-BN. These investigations were made through the SIESTA Code, a free software that uses first-principles methods, based on Density Functional Theory (DFT), as a parameter for its execution. From observations it was possible to identify which nanostructures showed greater stability, depending on the atomic organization of their respective crystal lattices. In the investigated nanomaterials we realized that both the formation energy per atom and the electron density varied noticeably in function of the different atomic arrangements. Regarding the electrical conductivity, the structures researched presented good agreement with the literature, thus reaffirming the applicability of these nanomaterials in electronic devices.Key words: Nanomaterials, formation energy, electronic density, stability.

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Theoretical study of carbon double cones

Cited by 6 publications

References 32 publications

Quantization of the dynamics of a particle on a double cone by preserving Noether symmetries

Quantization of the dynamics of a particle on a double cone by preserving Noether symmetries

Electronic properties of single and double napped carbon nanocones

Estudo teórico sobre as propriedades eletrônicas de nanoestruturas de Carbono e H-BN

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