Zobrazeno 1 - 10
of 723
pro vyhledávání: '"Partoens, B."'
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
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:
Saniz, R., Sarmadian, N., Partoens, B., Batuk, M., Hadermann, J., Marikutsa, A., Rumyantseva, M., Gaskov, A., Lamoen, D.
We present a first-principles computational study of non-polar ZnO (10$\bar{1}$0) surfaces doped with indium. The calculations were performed using a model ZnO slab. The position of the In dopants was varied from deep bulk-like layers to the surface
Externí odkaz:
http://arxiv.org/abs/1806.01338
By taking account of the electric-field-induced charge screening, a self-consistent calculation within the framework of the tight-binding approach is employed to obtain the electronic band structure of gated multilayer phosphorene and the charge dens
Externí odkaz:
http://arxiv.org/abs/1804.04841
Publikováno v:
Phys. Rev. B 96, 094510 (2017)
Starting from first principles, we show the formation and evolution of superconducting gaps in MgB$_2$ at its ultrathin limit. Atomically thin MgB$_2$ is distinctly different from bulk MgB$_2$ in that surface states become comparable in electronic de
Externí odkaz:
http://arxiv.org/abs/1708.04327
Publikováno v:
Phys. Rev. B 95, 115438 (2017)
We introduce a new approach for the correlation energy of one- and two-valley two-dimensional electron gas (2DEG) systems. Our approach is based on a random phase approximation at high densities and a classical approach at low densities, with interpo
Externí odkaz:
http://arxiv.org/abs/1611.03713