2012
Trejo, A.; Miranda, A.; Rivera, L. Niño; Díaz-Méndez, A.; Cruz-Irisson, M.
Phonon optical modes and electronic properties in diamond nanowires Artículo de revista
En: Microelectronic Engineering, vol. 90, pp. 92-95, 2012, ISSN: 0167-9317, (Micro&Nano 2010).
Resumen | Enlaces | BibTeX | Etiquetas: Diamond, Nanowires, Phonons, Raman scattering, Tight-binding
@article{TREJO201292,
title = {Phonon optical modes and electronic properties in diamond nanowires},
author = {A. Trejo and A. Miranda and L. Ni\~{n}o Rivera and A. D\'{i}az-M\'{e}ndez and M. Cruz-Irisson},
url = {https://www.sciencedirect.com/science/article/pii/S016793171100476X},
doi = {https://doi.org/10.1016/j.mee.2011.04.052},
issn = {0167-9317},
year = {2012},
date = {2012-01-01},
journal = {Microelectronic Engineering},
volume = {90},
pages = {92-95},
abstract = {A local bond-polarization model based on the displacement\textendashdisplacement Green’s function and the Born potential are applied to study the confined optical phonons and Raman scattering of diamond nanowires (DNWs). Also, the electronic band structure of DNWs are investigated by means of a semi-empirical tight-binding approach and compared with density functional theory within local density approximation. The supercell technique is applied to model DNWs along [001] direction preserving the crystalline diamond atomic structure. The results of both phonons and electrons show a clear quantum confinement signature. Moreover, the highest energy Raman peak shows a shift towards low frequencies respect to the bulk crystalline diamond, in agreement with experimental data.},
note = {Micro\&Nano 2010},
keywords = {Diamond, Nanowires, Phonons, Raman scattering, Tight-binding},
pubstate = {published},
tppubtype = {article}
}
A local bond-polarization model based on the displacement–displacement Green’s function and the Born potential are applied to study the confined optical phonons and Raman scattering of diamond nanowires (DNWs). Also, the electronic band structure of DNWs are investigated by means of a semi-empirical tight-binding approach and compared with density functional theory within local density approximation. The supercell technique is applied to model DNWs along [001] direction preserving the crystalline diamond atomic structure. The results of both phonons and electrons show a clear quantum confinement signature. Moreover, the highest energy Raman peak shows a shift towards low frequencies respect to the bulk crystalline diamond, in agreement with experimental data.
2010
Miranda, A.; Serrano, F. A.; Vázquez-Medina, R.; Cruz-Irisson, M.
Hydrogen surface passivation of Si and Ge nanowires: A semiempirical approach Artículo de revista
En: International Journal of Quantum Chemistry, vol. 110, no 13, pp. 2448-2454, 2010.
Resumen | Enlaces | BibTeX | Etiquetas: Germanium, Nanowires, optical properties, silicon, Tight-binding
@article{https://doi.org/10.1002/qua.22753,
title = {Hydrogen surface passivation of Si and Ge nanowires: A semiempirical approach},
author = {A. Miranda and F. A. Serrano and R. V\'{a}zquez-Medina and M. Cruz-Irisson},
url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/qua.22753},
doi = {https://doi.org/10.1002/qua.22753},
year = {2010},
date = {2010-01-01},
urldate = {2010-01-01},
journal = {International Journal of Quantum Chemistry},
volume = {110},
number = {13},
pages = {2448-2454},
abstract = {Abstract A semiempirical nearest-neighbor tight-binding approach, that reproduces the indirect band gaps of elemental semiconductors, has been applied to study the electronic and optical properties of Si and Ge nanowires (NWs). The calculations show that Si-NWs keep the indirect bandgap whereas Ge-NWs changes into the direct bandgap when the wire cross section becomes smaller. Also, the band gap enhancement of Si-NWs showing to quantum confinement effects is generally larger than that of similar-sized Ge-NWs, confirming the larger quantum confinement effects in Si than in Ge when they are confined in two dimensions. Finally, the dependence of the imaginary part of the dielectric function on the quantum confinement within two different schemes: intra-atomic and interatomic optical matrix elements are applied. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem 110:2448\textendash2454, 2010},
keywords = {Germanium, Nanowires, optical properties, silicon, Tight-binding},
pubstate = {published},
tppubtype = {article}
}
Abstract A semiempirical nearest-neighbor tight-binding approach, that reproduces the indirect band gaps of elemental semiconductors, has been applied to study the electronic and optical properties of Si and Ge nanowires (NWs). The calculations show that Si-NWs keep the indirect bandgap whereas Ge-NWs changes into the direct bandgap when the wire cross section becomes smaller. Also, the band gap enhancement of Si-NWs showing to quantum confinement effects is generally larger than that of similar-sized Ge-NWs, confirming the larger quantum confinement effects in Si than in Ge when they are confined in two dimensions. Finally, the dependence of the imaginary part of the dielectric function on the quantum confinement within two different schemes: intra-atomic and interatomic optical matrix elements are applied. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem 110:2448–2454, 2010
2009
Miranda, A.; Cuevas, J. L.; Ramos, A. E.; Cruz-Irisson, M.
Quantum confinement effects on electronic properties of hydrogenated 3C–SiC nanowires Artículo de revista
En: Microelectronics Journal, vol. 40, no 4, pp. 796-798, 2009, ISSN: 1879-2391, (European Nano Systems (ENS 2007) International Conference on Superlattices, Nanostructures and Nanodevices (ICSNN 2008)).
Resumen | Enlaces | BibTeX | Etiquetas: Density Functional Theory, Nanowires, Silicon carbide, Tight-binding
@article{MIRANDA2009796,
title = {Quantum confinement effects on electronic properties of hydrogenated 3C\textendashSiC nanowires},
author = {A. Miranda and J. L. Cuevas and A. E. Ramos and M. Cruz-Irisson},
url = {https://www.sciencedirect.com/science/article/pii/S0026269208005375},
doi = {https://doi.org/10.1016/j.mejo.2008.11.034},
issn = {1879-2391},
year = {2009},
date = {2009-01-01},
urldate = {2009-01-01},
journal = {Microelectronics Journal},
volume = {40},
number = {4},
pages = {796-798},
abstract = {In this work, the effect of the morphology on the electronic band structure and density of states of hydrogenated silicon carbide nanowires is studied by using a semiempirical sp3s* tight-binding (TB) approach applied to the supercell model, where the Si- and C-dangling bonds are passivated by hydrogen atoms. The TB results are compared with those of ab-initio density functional theory within the local density approximation, showing that this method gives systematically larger energy gaps than the TB one. As expected, hydrogen saturation induces a broadening of the band gap energy due to quantum confinement effect.},
note = {European Nano Systems (ENS 2007) International Conference on Superlattices, Nanostructures and Nanodevices (ICSNN 2008)},
keywords = {Density Functional Theory, Nanowires, Silicon carbide, Tight-binding},
pubstate = {published},
tppubtype = {article}
}
In this work, the effect of the morphology on the electronic band structure and density of states of hydrogenated silicon carbide nanowires is studied by using a semiempirical sp3s* tight-binding (TB) approach applied to the supercell model, where the Si- and C-dangling bonds are passivated by hydrogen atoms. The TB results are compared with those of ab-initio density functional theory within the local density approximation, showing that this method gives systematically larger energy gaps than the TB one. As expected, hydrogen saturation induces a broadening of the band gap energy due to quantum confinement effect.
