Zobrazeno 1 - 10
of 37
pro vyhledávání: '"Matteo Giantomassi"'
Publikováno v:
Materials Genome Engineering Advances, Vol 2, Iss 3, Pp n/a-n/a (2024)
Abstract Machine‐learning interatomic potentials have revolutionized materials modeling at the atomic scale. Thanks to these, it is now indeed possible to perform simulations of ab initio quality over very large time and length scales. More recentl
Externí odkaz:
https://doaj.org/article/e0d90a29f08d4a2083493453f7f92bd3
Autor:
Pedro Miguel M. C. de Melo, Joao C. de Abreu, Bogdan Guster, Matteo Giantomassi, Zeila Zanolli, Xavier Gonze, Matthieu J. Verstraete
Publikováno v:
npj Computational Materials, Vol 9, Iss 1, Pp 1-13 (2023)
Abstract The electron–phonon interaction is central to condensed matter, e.g. through electrical resistance, superconductivity or the formation of polarons, and has a strong impact on observables such as band gaps or optical spectra. The most commo
Externí odkaz:
https://doaj.org/article/45e093a7e16741d0a4e83cbe98821873
Publikováno v:
New Journal of Physics, Vol 26, Iss 11, p 119501 (2024)
Externí odkaz:
https://doaj.org/article/d3c387a6212e4d0aba2bb4323bcf8e3f
Autor:
Casper W. Andersen, Rickard Armiento, Evgeny Blokhin, Gareth J. Conduit, Shyam Dwaraknath, Matthew L. Evans, Ádám Fekete, Abhijith Gopakumar, Saulius Gražulis, Andrius Merkys, Fawzi Mohamed, Corey Oses, Giovanni Pizzi, Gian-Marco Rignanese, Markus Scheidgen, Leopold Talirz, Cormac Toher, Donald Winston, Rossella Aversa, Kamal Choudhary, Pauline Colinet, Stefano Curtarolo, Davide Di Stefano, Claudia Draxl, Suleyman Er, Marco Esters, Marco Fornari, Matteo Giantomassi, Marco Govoni, Geoffroy Hautier, Vinay Hegde, Matthew K. Horton, Patrick Huck, Georg Huhs, Jens Hummelshøj, Ankit Kariryaa, Boris Kozinsky, Snehal Kumbhar, Mohan Liu, Nicola Marzari, Andrew J. Morris, Arash A. Mostofi, Kristin A. Persson, Guido Petretto, Thomas Purcell, Francesco Ricci, Frisco Rose, Matthias Scheffler, Daniel Speckhard, Martin Uhrin, Antanas Vaitkus, Pierre Villars, David Waroquiers, Chris Wolverton, Michael Wu, Xiaoyu Yang
Publikováno v:
Scientific Data, Vol 8, Iss 1, Pp 1-10 (2021)
Abstract The Open Databases Integration for Materials Design (OPTIMADE) consortium has designed a universal application programming interface (API) to make materials databases accessible and interoperable. We outline the first stable release of the s
Externí odkaz:
https://doaj.org/article/195f6a32cdad4e099318119238e9d978
Publikováno v:
New Journal of Physics, Vol 25, Iss 4, p 043022 (2023)
Crossed magneto-thermo-electric coefficients are central to novel sensors and spin(calori)tronic devices. Within the framework of Boltzmann’s transport theory, we calculate the resistivity and Seebeck coefficients of the most common 3 d ferromagnet
Externí odkaz:
https://doaj.org/article/679407fb7d9c4a14ab51b4beef3c1d1d
Publikováno v:
Scientific Reports, Vol 7, Iss 1, Pp 1-10 (2017)
Abstract Raman spectra obtained by the inelastic scattering of light by crystalline solids contain contributions from first-order vibrational processes (e.g. the emission or absorption of one phonon, a quantum of vibration) as well as higher-order pr
Externí odkaz:
https://doaj.org/article/2d74045dce804d62aa92ee2da54ef390
Publikováno v:
Physical Chemistry Chemical Physics, Vol. 24, no.20, p. 12580-12591 (2022)
Polarons are quasi-particles made from electrons interacting with vibrations in crystal lattices. They derive their name from the strong electron-vibration polar interaction in ionic systems, that induces associated spectroscopic and optical signatur
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f7ebd389e590d840783a9cc665187f44
https://doi.org/10.1039/d2cp01012g
https://doi.org/10.1039/d2cp01012g
Autor:
Bogdan Guster, Pedro Melo, Bradley A. A. Martin, Véronique Brousseau-Couture, Joao C. de Abreu, Anna Miglio, Matteo Giantomassi, Michel Côté, Jarvist M. Frost, Matthieu J. Verstraete, Xavier Gonze
Publikováno v:
Physical Review B. 105
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bb0d0ac66f512b209024cf47a25b9d19
https://doi.org/10.1103/physrevb.105.119902
https://doi.org/10.1103/physrevb.105.119902
Publikováno v:
Physical Review B, Vol. 106, no.9, p. 094302 (2022)
The mobility of carriers, as limited by their scattering with phonons, can now routinely be obtained from first-principles electron-phonon coupling calculations. However, so far, most computations have relied on some form of simplification of the lin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e16174c9cc03bde99690636304b7c7f4
http://arxiv.org/abs/2202.12605
http://arxiv.org/abs/2202.12605
Autor:
Bogdan Guster, Pedro Melo, Bradley A. A. Martin, Véronique Brousseau-Couture, Joao C. de Abreu, Anna Miglio, Matteo Giantomassi, Michel Côté, Jarvist M. Frost, Matthieu J. Verstraete, Xavier Gonze
Publikováno v:
Physical Review B, Vol. 104, no.23, p. 235123 (2021)
Polarons, that is, charge carriers correlated with lattice deformations, are ubiquitous quasiparticles in semiconductors, and play an important role in electrical conductivity. To date most theoretical studies of so-called large polarons, in which th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::901e63f720d420535d2cff4c528ab8ba
https://doi.org/10.1103/physrevb.104.235123
https://doi.org/10.1103/physrevb.104.235123