Zobrazeno 1 - 10
of 171
pro vyhledávání: '"Poncé, Samuel"'
Verification and validation of methods and first-principles software are at the core of computational solid-state physics but are too rarely addressed. We compare four first-principles codes: Abinit, Quantum ESPRESSO, EPW, ZG, and three methods: (i)
Externí odkaz:
http://arxiv.org/abs/2410.14319
Publikováno v:
Phys. Rev. B 110, L121106 (2024)
Acoustic phonons in piezoelectric materials strongly couple to electrons through a macroscopic electric field. We show that this coupling leads to a momentum-dependent divergence of the Fan-Migdal electron linewidth. We then develop a self-consistent
Externí odkaz:
http://arxiv.org/abs/2409.07404
Autor:
Sokolović, Igor, Guedes, Eduardo B., van Waas, Thomas P., Poncé, Samuel, Polley, Craig, Schmid, Michael, Diebold, Ulrike, Radović, Milan, Setvín, Martin, Dil, J. Hugo
Two-dimensional electron liquids (2DELs) have increasing technological relevance for ultrafast electronics and spintronics, yet significant gaps in their fundamental understanding are exemplified on the prototypical SrTiO$_3$. We correlate the exact
Externí odkaz:
http://arxiv.org/abs/2405.18946
Emerging two-dimensional (2D) materials bring unprecedented opportunities for electronic applications. The design of high-performance devices requires an accurate prediction of carrier mobility in 2D materials, which can be obtained using state-of-th
Externí odkaz:
http://arxiv.org/abs/2404.09602
Autor:
Wang, Amanda, Bushick, Kyle, Pant, Nick, Lee, Woncheol, Zhang, Xiao, Leveillee, Joshua, Giustino, Feliciano, Poncé, Samuel, Kioupakis, Emmanouil
Publikováno v:
Appl. Phys. Lett. 22 April 2024; 124 (17): 172103
The transparent conducting oxide SnO2 is a wide bandgap semiconductor that is easily n-type doped and widely used in various electronic and optoelectronic applications. Experimental reports of the electron mobility of this material vary widely depend
Externí odkaz:
http://arxiv.org/abs/2401.12158
The conversion efficiency from charge current to spin current via spin Hall effect is evaluated by the spin Hall ratio (SHR). Through state-of-the-art $ab~initio$ calculations involving both charge conductivity and spin Hall conductivity, we report t
Externí odkaz:
http://arxiv.org/abs/2308.13692
Autor:
Bouquiaux, Julien, Poncé, Samuel, Jia, Yongchao, Miglio, Anna, Mikami, Masayoshi, Gonze, Xavier
Publikováno v:
Chem. Mater. 2023
White light-emitting diodes are gaining popularity and are set to become the most common light source in the U.S. by 2025. However, their performance is still limited by the lack of an efficient red-emitting component with a narrow band emission. The
Externí odkaz:
http://arxiv.org/abs/2306.09162
Autor:
Margot, Florian, Lisi, Simone, Cucchi, Irène, Cappelli, Edoardo, Hunter, Andrew, Gutiérrez-Lezama, Ignacio, Ma, KeYuan, von Rohr, Fabian, Berthod, Christophe, Petocchi, Francesco, Poncé, Samuel, Marzari, Nicola, Gibertini, Marco, Tamai, Anna, Morpurgo, Alberto F., Baumberger, Felix
Publikováno v:
Nano Lett. 2023, 23 6433-6439
Black phosphorus (BP) stands out among two-dimensional (2D) semiconductors because of its high mobility and thickness dependent direct band gap. However, the quasiparticle band structure of ultrathin BP has remained inaccessible to experiment thus fa
Externí odkaz:
http://arxiv.org/abs/2306.00749
Autor:
Bosoni, Emanuele, Beal, Louis, Bercx, Marnik, Blaha, Peter, Blügel, Stefan, Bröder, Jens, Callsen, Martin, Cottenier, Stefaan, Degomme, Augustin, Dikan, Vladimir, Eimre, Kristjan, Flage-Larsen, Espen, Fornari, Marco, Garcia, Alberto, Genovese, Luigi, Giantomassi, Matteo, Huber, Sebastiaan P., Janssen, Henning, Kastlunger, Georg, Krack, Matthias, Kresse, Georg, Kühne, Thomas D., Lejaeghere, Kurt, Madsen, Georg K. H., Marsman, Martijn, Marzari, Nicola, Michalicek, Gregor, Mirhosseini, Hossein, Müller, Tiziano M. A., Petretto, Guido, Pickard, Chris J., Poncé, Samuel, Rignanese, Gian-Marco, Rubel, Oleg, Ruh, Thomas, Sluydts, Michael, Vanpoucke, Danny E. P., Vijay, Sudarshan, Wolloch, Michael, Wortmann, Daniel, Yakutovich, Aliaksandr V., Yu, Jusong, Zadoks, Austin, Zhu, Bonan, Pizzi, Giovanni
Publikováno v:
Nat. Rev. Phys. 6, 45 (2024)
In the past decades many density-functional theory methods and codes adopting periodic boundary conditions have been developed and are now extensively used in condensed matter physics and materials science research. Only in 2016, however, their preci
Externí odkaz:
http://arxiv.org/abs/2305.17274
Autor:
Lee, Hyungjun, Poncé, Samuel, Bushick, Kyle, Hajinazar, Samad, Lafuente-Bartolome, Jon, Leveillee, Joshua, Lian, Chao, Macheda, Francesco, Paudyal, Hari, Sio, Weng Hong, Zacharias, Marios, Zhang, Xiao, Bonini, Nicola, Kioupakis, Emmanouil, Margine, Elena R., Giustino, Feliciano
EPW is an open-source software for $\textit{ab initio}$ calculations of electron-phonon interactions and related materials properties. The code combines density functional perturbation theory and maximally-localized Wannier functions to efficiently c
Externí odkaz:
http://arxiv.org/abs/2302.08085