Zobrazeno 1 - 10
of 272
pro vyhledávání: '"Feliciano, Giustino"'
Autor:
Viet-Anh Ha, Feliciano Giustino
Publikováno v:
npj Computational Materials, Vol 10, Iss 1, Pp 1-21 (2024)
Abstract 2D semiconductors offer a promising pathway to replace silicon in next-generation electronics. Among their many advantages, 2D materials possess atomically-sharp surfaces and enable scaling the channel thickness down to the monolayer limit.
Externí odkaz:
https://doaj.org/article/4e490d815e5d4ce48e5265771af3128c
Autor:
Hyungjun Lee, Samuel Poncé, Kyle Bushick, Samad Hajinazar, Jon Lafuente-Bartolome, Joshua Leveillee, Chao Lian, Jae-Mo Lihm, Francesco Macheda, Hitoshi Mori, Hari Paudyal, Weng Hong Sio, Sabyasachi Tiwari, Marios Zacharias, Xiao Zhang, Nicola Bonini, Emmanouil Kioupakis, Elena R. Margine, Feliciano Giustino
Publikováno v:
npj Computational Materials, Vol 9, Iss 1, Pp 1-26 (2023)
Abstract EPW is an open-source software for 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:
https://doaj.org/article/4f449a601a044408ba2263ec7ac8bc98
Publikováno v:
npj Computational Materials, Vol 9, Iss 1, Pp 1-13 (2023)
Abstract 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
Externí odkaz:
https://doaj.org/article/7697f628d24f46428fe4b90609e9195b
Autor:
Bruno Cucco, Joshua Leveillee, Viet-Anh Ha, Jacky Even, Mikaël Kepenekian, Feliciano Giustino, George Volonakis
Publikováno v:
PRX Energy, Vol 3, Iss 2, p 023012 (2024)
Layered halide perovskites have emerged as potential alternatives to three-dimensional (3D) halide perovskites due to their improved stability and larger material phase space, allowing fine tuning of structural, electronic, and optical properties. Ho
Externí odkaz:
https://doaj.org/article/8ab852afc8e74596ab5755c23a0d166d
Publikováno v:
npj Computational Materials, Vol 9, Iss 1, Pp 1-1 (2023)
Externí odkaz:
https://doaj.org/article/619d2606d3fd4274a4c79700f3744846
Autor:
Feliciano Giustino
This book is an introduction to the quantum theory of materials and first-principles computational materials modelling. It explains how to use density functional theory as a practical tool for calculating the properties of materials without using any
Autor:
Mir Mohammad Sadeghi, Yajie Huang, Chao Lian, Feliciano Giustino, Emanuel Tutuc, Allan H. MacDonald, Takashi Taniguchi, Kenji Watanabe, Li Shi
Publikováno v:
Nature. 617:282-286
Autor:
Christopher L. Davies, Marina R. Filip, Jay B. Patel, Timothy W. Crothers, Carla Verdi, Adam D. Wright, Rebecca L. Milot, Feliciano Giustino, Michael B. Johnston, Laura M. Herz
Publikováno v:
Nature Communications, Vol 9, Iss 1, Pp 1-9 (2018)
Radiative bimolecular processes will dominate charge-carrier recombination in hybrid perovskite solar cells operating near the Shockley-Queisser limit. Here, the authors show that such processes are the inverse of absorption and increase as distribut
Externí odkaz:
https://doaj.org/article/f408a141d59b4f4782e4e1bd11ded0a4
Autor:
Samuel Poncé, Francesco Macheda, Elena Roxana Margine, Nicola Marzari, Nicola Bonini, Feliciano Giustino
Publikováno v:
Physical Review Research, Vol 3, Iss 4, p 043022 (2021)
Carrier mobility is at the root of our understanding of electronic devices. We present a unified methodology for the parameter-free calculations of phonon-limited drift and Hall carrier mobilities in real materials within the framework of the Boltzma
Externí odkaz:
https://doaj.org/article/12abca48a29c4efb8f5f88cca8ee916f
Publikováno v:
Nature Communications, Vol 8, Iss 1, Pp 1-7 (2017)
Photoemission spectroscopy studies of anatase titanium oxide have demonstrated a doping-driven crossover in the polaronic character of charge carriers. Here, the authors obtain a first principles understanding of these observations in terms of plasma
Externí odkaz:
https://doaj.org/article/11e32796d67e44c5b473aa9163ecf560