Zobrazeno 1 - 10
of 486
pro vyhledávání: '"Giustino, Feliciano"'
Autor:
Ranalli, Luigi, Verdi, Carla, Zacharias, Marios, Evens, Jacky, Giustino, Feliciano, Franchini, Cesare
Accurately predicting carrier mobility in strongly anharmonic solids necessitates a precise characterization of lattice dyndamics as a function of temperature. We achieve consistency with experimental electron mobility data for bulk KTaO$_3$ and SrTi
Externí odkaz:
http://arxiv.org/abs/2407.18771
Publikováno v:
Proc. Natl. Acad. Sci. U.S.A. 121, e2318151121 (2024)
Halide perovskites emerged as a revolutionary family of high-quality semiconductors for solar energy harvesting and energy-efficient lighting. There is mounting evidence that the exceptional optoelectronic properties of these materials could stem fro
Externí odkaz:
http://arxiv.org/abs/2405.13188
Autor:
Cucco, Bruno, Leveillee, Joshua, Ha, Viet-Anh, Even, Jacky, Kepenekian, Mikaël, Giustino, Feliciano, Volonakis, George
Publikováno v:
PRX Energy 3 (2024) 023012
Layered halide perovskites have emerged as potential alternatives to three-dimensional halide perovskites due to their improved stability and larger material phase space, allowing fine-tuning of structural, electronic, and optical properties. However
Externí odkaz:
http://arxiv.org/abs/2404.12960
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
Publikováno v:
npj Comput Mater 9, 153 (2023)
Anharmonicity and local disorder (polymorphism) are ubiquitous in perovskite physics, inducing various phenomena observed in scattering and spectroscopy experiments. Several of these phenomena still lack interpretation from first-principles since, hi
Externí odkaz:
http://arxiv.org/abs/2302.09625
Autor:
Sio, Weng Hong, Giustino, Feliciano
The polaron is the archetypal example of a quasiparticle emerging from the interaction between fermionic and bosonic fields in quantum field theory. In crystalline solids, polarons are formed when electrons and holes become dressed by the quanta of l
Externí odkaz:
http://arxiv.org/abs/2302.08437
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
The past decade has seen the emergence of ab initio computational methods for calculating phonon-limited carrier mobilities in semiconductors with predictive accuracy. More realistic calculations ought to take into account additional scattering mecha
Externí odkaz:
http://arxiv.org/abs/2301.02323
On the basis of the self-consistent phonon theory and the special displacement method, we develop an approach for the treatment of anharmonicity in solids. We show that this approach enables the efficient calculation of temperature-dependent anharmon
Externí odkaz:
http://arxiv.org/abs/2212.10633