Zobrazeno 1 - 10
of 27
pro vyhledávání: '"Marcos G, Menezes"'
Publikováno v:
Physical Review B. 106
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d33a9c083f791e630d4169c4a952b245
https://doi.org/10.1103/physrevb.106.195407
https://doi.org/10.1103/physrevb.106.195407
Autor:
Wendel S. Paz, Rodrigo B. Capaz, Juan Jose Palacios, Matěj Velický, Maria Varela, G. Sanchez-Santolino, Nathanael N. Batista, Marcos G. Menezes
Publikováno v:
Nano Letters. 21:7781-7788
Franckeite is a natural superlattice composed of two alternating layers of different composition which has shown potential for optoelectronic applications. In part, the interest in franckeite lies in its layered nature which makes it easy to exfoliat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::10851d77c45377754e58479e99151922
https://doi.org/10.1021/acs.nanolett.1c02742
https://doi.org/10.1021/acs.nanolett.1c02742
Publikováno v:
Journal of Materials Science. 56:6891-6902
In this work, we study the electronic properties of mono- and multilayer titanium disulfide (TiS2) with the aid of first-principles calculations based on density functional theory. We find that the band gap can slightly be tuned as a function of the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fa59900e8ce5c976da2fa96ee3c13434
https://doi.org/10.1007/s10853-020-05760-7
https://doi.org/10.1007/s10853-020-05760-7
Publikováno v:
Physical Review B. 105
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::91915e754b6aa29b8f3b6a43167b57b1
https://doi.org/10.1103/physrevb.105.115413
https://doi.org/10.1103/physrevb.105.115413
Autor:
Saif Ullah, Marcos G. Menezes
Publikováno v:
Physical Review B. 104
In this study, we use first-principles calculations to investigate the electronic and structural properties of $\text{Mo}{X}_{2}$ $(X=\text{S}, \mathrm{Se}, \mathrm{Te})$ monolayers doped with substitutional Sb atoms, with a central focus on the Sb(M
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4a5e7dafd13c452bb41be6e6ceba7226
https://doi.org/10.1103/physrevb.104.125438
https://doi.org/10.1103/physrevb.104.125438
Autor:
P.J. van Veldhoven, Rodrigo B. Capaz, Belita Koiller, A. Vela, E. G. Banfi, PM Paul Koenraad, T. J. F. Verstijnen, Marcos G. Menezes, D. Tjeertes
Publikováno v:
Physical Review B, 104(12):125433. American Physical Society
Silicon (Si) donors in GaAs have been the topic of extensive studies since Si is the most common and well understood n-type dopant in III-V semiconductor devices and substrates. The indirect bandgap of AlAs compared to the direct one of GaAs leads to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ef3439bf910d009c4c08f930dceba790
http://arxiv.org/abs/2106.05695
http://arxiv.org/abs/2106.05695
Tunable optoelectronic properties in h-BP/h-BAs bilayers: The effect of an external electrical field
Publikováno v:
Applied Surface Science. 493:308-319
Herein, we perform DFT calculations to study the stability and the electronic and optical properties of pristine and hybrid bilayers of hexagonal boron phosphide (h-BP) and hexagonal boron arsenide (h-BAs). The electronic and optical properties of al
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::006156c4aced1c9e18b8b9e28d4c449c
https://doi.org/10.1016/j.apsusc.2019.07.030
https://doi.org/10.1016/j.apsusc.2019.07.030
Autor:
Luiz Fernando C. de Oliveira, Tiago S. Pacheco, João Paulo Almeida de Mendonça, Fernando Sato, Saif Ullah, Luciano G. Moura, Sukarno Olavo Ferreira, Marcos G. Menezes, Leonã S. Flores, Santunu Ghosh
Publikováno v:
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 218:281-292
The complex crystals of the family of the Tutton's salt have been investigated through the numerous experimental and theoretical studies to understand their physical properties and their potential technological applications. In spite of the more than
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d3dd4f74383eab196e46d53bf8ed8c6a
https://doi.org/10.1016/j.saa.2019.04.023
https://doi.org/10.1016/j.saa.2019.04.023
Publikováno v:
Computational Materials Science. 161:265-275
In this work, we study the structural phase transitions of gallium phosphide (GaP), witha combination of molecular dynamics simulations (MD) and ab initio calculations based on density functional theory (DFT) with vibrational corrections within the h
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0ed6d0b84d44749d3a196079560bcb34
https://doi.org/10.1016/j.commatsci.2019.02.010
https://doi.org/10.1016/j.commatsci.2019.02.010
Publikováno v:
Physical Review B. 102
We study the electronic and structural properties of substitutional impurities of graphenelike nanoporous materials ${\mathrm{C}}_{2}\mathrm{N}$, $tg$-, and $hg\text{\ensuremath{-}}{\mathrm{C}}_{3}{\mathrm{N}}_{4}$ by means of density functional theo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::934530f0efd738e8799720239b0c712e
https://doi.org/10.1103/physrevb.102.134112
https://doi.org/10.1103/physrevb.102.134112