Zobrazeno 1 - 10
of 445
pro vyhledávání: '"P. Partoens"'
Publikováno v:
SciPost Phys. Core 7, 004 (2024)
We provide a comprehensive analysis of the prominent tight-binding (TB) models for transition metal dichalcogenides (TMDs) available in the literature. We inspect the construction of these TB models, discuss their parameterization used and conduct a
Externí odkaz:
http://arxiv.org/abs/2312.00498
The DFT-$\frac{1}{2}$ method is a band gap correction with GW precision at a DFT computational cost. The method was also extended to correct the gap between defect levels, allowing for the calculation of optical transitions. However, this method fail
Externí odkaz:
http://arxiv.org/abs/2309.11435
Autor:
Mazzola, F., Hassani, H., Amoroso, D., Chaluvadi, S. K., Fujii, J., Polewczyk, V., Rajak, P., Koegler, Max, Ciancio, R., Partoens, B., Rossi, G., Vobornik, I., Ghosez, P., Orgiani, P.
WO$_3$ is a binary 5d compound which has attracted remarkable attention due to the vast array of structural transitions that it undergoes in its bulk form. In the bulk, a wide range of electronic properties has been demonstrated, including metal-insu
Externí odkaz:
http://arxiv.org/abs/2304.10571
Using first-principles density functional theory, we investigate the dynamical properties of the room-temperature $P2_1/n$ and ground-state $P2_1/c$ phases of WO$_3$. As a preliminary step, we assess the validity of various standard and hybrid functi
Externí odkaz:
http://arxiv.org/abs/2111.11573
Publikováno v:
Solid State Commun. 330 (2021) 114263
We present a first-principles computational study of cation-Se $\Sigma$3 (112) grain boundaries in CuGaSe$_2$. We discuss the structure of these grain boundaries, as well as the effect of native defects and Na impurities on their electronic propertie
Externí odkaz:
http://arxiv.org/abs/2103.10704
Autor:
Bekaert, J., Khestanova, E., Hopkinson, D. G., Birkbeck, J., Clark, N., Zhu, M., Bandurin, D. A., Gorbachev, R., Fairclough, S., Zou, Y., Hamer, M., Terry, D. J., Peters, J. J. P., Sanchez, A. M., Partoens, B., Haigh, S. J., Milošević, M. V., Grigorieva, I. V.
When approaching the atomically thin limit, defects and disorder play an increasingly important role in the properties of two-dimensional materials. Superconductivity is generally thought to be vulnerable to these effects, but here we demonstrate the
Externí odkaz:
http://arxiv.org/abs/1912.07257
Autor:
Van der Donck, M., Conti, S., Perali, A., Hamilton, A. R., Partoens, B., Peeters, F. M., Neilson, D.
Publikováno v:
Phys. Rev. B 102, 060503 (2020)
Although there is strong theoretical and experimental evidence for electron-hole superfluidity in separated sheets of electrons and holes at low $T$, extending superfluidity to high $T$ is limited by strong 2D fluctuations and Kosterlitz-Thouless eff
Externí odkaz:
http://arxiv.org/abs/1911.01123
Publikováno v:
SciPost Physics Core, Vol 7, Iss 1, p 004 (2024)
We provide a comprehensive analysis of the prominent tight-binding (TB) models for transition metal dichalcogenides (TMDs) available in the literature. We inspect the construction of these TB models, discuss their parameterization used and conduct a
Externí odkaz:
https://doaj.org/article/672954bc76e040b083608541e9d0d94c
Electro-optical modulators, which use an electric voltage (or an electric field) to modulate a beam of light, are essential elements in present-day telecommunication devices. Using a self-consistent tight-binding approach combined with the standard K
Externí odkaz:
http://arxiv.org/abs/1811.12072
Autor:
Shi, Wenqin, Callewaert, Vincent, Barbiellini, Bernardo, Saniz, Rolando, Butterling, Maik, Egger, Werner, Dickmann, Marcel, Hugenschmidt, Christoph, Shakeri, Behtash, Meulenberg, Robert W., Brück, Ekkes, Partoens, Bart, Bansil, Arun, Eijt, Stephan W. H.
Publikováno v:
Physical Review Letters 121, 057401 (2018)
Previous studies have shown that positron-annihilation spectroscopy is a highly sensitive probe of the electronic structure and surface composition of ligand-capped semiconductor Quantum Dots (QDs) embedded in thin films. Nature of the associated pos
Externí odkaz:
http://arxiv.org/abs/1808.04971