Zobrazeno 1 - 10
of 136
pro vyhledávání: '"Luc Henrard"'
Publikováno v:
Light: Advanced Manufacturing, Vol 4, Iss 4, Pp 372-379 (2023)
The role of molecular junctions in nanoelectronics is most often associated with electronic transport; however, their precise characterisation hinders their widespread development. The interaction of light with molecular junctions is a supplementary
Externí odkaz:
https://doaj.org/article/29c545f277294bd0a22bee02cdb08477
Publikováno v:
Carbon Trends, Vol 12, Iss , Pp 100286- (2023)
An efficient semiempirical computational methodology is developed for the simulation of Tip-Enhanced Raman Spectroscopy (TERS), by combining the discrete-dipole approximation (DDA), the bond polarizability model (BPM), and density functional theory (
Externí odkaz:
https://doaj.org/article/543ec80d757e444084234cffc84d05cc
Autor:
Tanguy Colleu, Adam Fekete, Xavier Gonze, Alexandre Cloots, Vincent Liégeois, Gian-Marco Rignanese, Luc Henrard
Publikováno v:
JPhys Photonics, Vol 6, Iss 2, p 025003 (2024)
Surface enhanced infrared absorption (SEIRA) is an experimental method where trace amount of a compound can be detected with high sensibility. This high detection sensibility is the result of the interaction of the molecules with a localized plasmon,
Externí odkaz:
https://doaj.org/article/124d7202b5854bb8aad03c15605e1090
Publikováno v:
AIP Advances, Vol 13, Iss 7, Pp 075210-075210-13 (2023)
The effective independent-particle (mean-field) approximation of the Fermi–Hubbard Hamiltonian is described in a many-body basis to develop a formal comparison with the exact diagonalization of the full Fermi–Hubbard model using small atomic chai
Externí odkaz:
https://doaj.org/article/e2ff1eca1ecd41778b77a26a4137bc32
Autor:
Trung T. Pham, Péter Vancsó, Márton Szendrő, Krisztián Palotás, Roshan Castelino, Mehdi Bouatou, Cyril Chacon, Luc Henrard, Jérôme Lagoute, Robert Sporken
Publikováno v:
npj 2D Materials and Applications, Vol 6, Iss 1, Pp 1-11 (2022)
Abstract Stabilization of the 2H phase of MoTe2 during molecular beam epitaxy (MBE) growth on graphene terminated 6H-SiC(0001) is highly desirable in order to take advantage of its promising properties in electronic applications. By properly adjustin
Externí odkaz:
https://doaj.org/article/4920f314e1bb48c6a0d8c8cae27f72d1
Publikováno v:
AIP Advances, Vol 12, Iss 3, Pp 035238-035238-14 (2022)
This study reports on the accuracy of the GW approximation for the treatment of the Hubbard model compared to exact diagonalization (ED) results. We consider not only global quantities, such as the total energy and the density of states, but also the
Externí odkaz:
https://doaj.org/article/268e5dae0f5043448545d2b10026ecba
Publikováno v:
Carbon Trends, Vol 4, Iss , Pp 100073- (2021)
A computationally efficient Green’s function approach is developed to evaluate the optical properties of nanostructures within a semi-empirical Hubbard model. A GW formalism is applied on top of a tight-binding and mean-field approach. The use of t
Externí odkaz:
https://doaj.org/article/28f9d1697566497ca9940e7937ca14ab
Autor:
Issam Derkaoui, Mohamed Achehboune, Issam Boukhoubza, El mehdi El Allam, Zineb El Adnani, Luc Henrard, Abdellah Rezzouk
Publikováno v:
Derkaoui, I, Achehboune, M, Boukhoubza, I, El Allam, E M, El Adnani, Z, Henrard, L & Rezzouk, A 2023, ' Effect of strontium (Sr) doping on the structural, electronic and optical properties of ZnO, by first-principles calculations ', Physica B: Condensed Matter, vol. 660, 414903 . https://doi.org/10.1016/j.physb.2023.414903
We apply the first principles approach using the GGA-PBE + U approximation to study the effect of Sr doping on the structural, electronic and optical properties of ZnO. The computed results show that the optimized lattice parameters as well as the ca
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0b0762e67c7ff2e25594a2e6e1eea33f
https://pure.unamur.be/ws/files/83699682/Sr_ZnO_Version_finale.pdf
https://pure.unamur.be/ws/files/83699682/Sr_ZnO_Version_finale.pdf
Publikováno v:
Majérus, B, Henrard, L & Kockaert, P 2023, ' Optical modeling of single and multilayer two-dimensional materials and heterostructures ', Physical Review B, vol. 107, no. 4, 045429 . https://doi.org/10.1103/PhysRevB.107.045429
Bidimensional materials are ideally viewed as having no thickness, as their name suggests. Their optical response have been previously modelled by a purely bidimensional surface current or by a very thin film with some contradictory results. The adve