Zobrazeno 1 - 10
of 128
pro vyhledávání: '"da Silva, Antônio J. R."'
Publikováno v:
Phys. Rev. B 98, 035106 (2018)
We put forward a tight-binding model for rhombohedral topological insulators materials with the space group $D^{5}_{3d}(R\bar{3}m)$. The model describes the bulk band structure of these materials over the whole Brillouin zone. Within this framework,
Externí odkaz:
http://arxiv.org/abs/1802.07864
Publikováno v:
Phys. Rev. B 89, 155438 (2014)
We have performed an ab initio investigation of the electronic properties of the graphene sheet adsorbed by Ru adatoms (Ru/graphene). For a particular set of triangular arrays of Ru adatoms, we find the formation of four (spin-polarized) Dirac cones
Externí odkaz:
http://arxiv.org/abs/1401.5809
Publikováno v:
Phys. Rev. B 88 235413 (2013)
The buckled structure of silicene leads to the possibility of new kinds of line defects that separate regions with reversed buckled phases. In the present work we show that these new grain boundaries have very low formation energies, one order of mag
Externí odkaz:
http://arxiv.org/abs/1312.3344
We show that graphene with Mn adatoms trapped at single vacancies feature spin-dependent Seebeck effect, thus enabling the use of this material for spin caloritronics. A gate potential can be used to tune its thermoelectric properties in a way it pre
Externí odkaz:
http://arxiv.org/abs/1305.0316
Publikováno v:
Physical Review B vol. 84 no. 245411 (2011)
We theoretically investigate spin-resolved currents flowing in large-area graphene, with and without defects, doped with single atoms of noble metals (Cu, Ag and Au) and 3d-transition metals (Mn,Fe,Co and Ni). We show that the presence of a local mag
Externí odkaz:
http://arxiv.org/abs/1112.2159
Publikováno v:
Phys. Rev. B 82, 153402 (2010)
We propose a natural way to create quantum-confined regions in graphene in a system that allows large-scale device integration. We show, using first-principles calculations, that a single graphene layer on a trenched region of $[000\bar{1}]$ $SiC$ mi
Externí odkaz:
http://arxiv.org/abs/1008.2998
Autor:
Haas, Philipp, Tran, Fabien, Blaha, Peter, Pedroza, Luana S., da Silva, Antonio J. R., Odashima, Mariana M., Capelle, Klaus
Publikováno v:
Phys. Rev. B 81, 125136 (2010)
Eleven density functionals are compared with regard to their performance for the lattice constants of solids. We consider standard functionals, such as the local-density approximation and the Perdew-Burke-Ernzerhof (PBE) generalized-gradient approxim
Externí odkaz:
http://arxiv.org/abs/1003.2530
The formation of one-dimensional carbon chains from graphene nanoribbons is investigated using it ab initio molecular dynamics. We show under what conditions it is possible to obtain a linear atomic chain via pulling of the graphene nanoribbons. The
Externí odkaz:
http://arxiv.org/abs/0912.2502
Publikováno v:
Phys. Rev. B 79, p. R-201106 (2009)
One of the standard generalized-gradient approximations (GGAs) in use in modern electronic-structure theory, PBE, and a recently proposed modification designed specifically for solids, PBEsol, are identified as particular members of a family of funct
Externí odkaz:
http://arxiv.org/abs/0905.1925
Publikováno v:
Phys. Rev. B 79 153401 (2009)
We show that the ground state of zigzag bilayer graphene nanoribbons is non-magnetic. It also possesses a finite gap, which has a non-monotonic dependence with the width as a consequence of the competition between bulk and strongly attractive edge in
Externí odkaz:
http://arxiv.org/abs/0810.4646