no code implementations • 28 Aug 2020 • Susumu Minami, Fumiyuki Ishii, Motoaki Hirayama, Takuya Nomoto, Takashi Koretsune, Ryotaro Arita
Motivated by the recent discovery of a large anomalous Nernst effect in Co$_2$MnGa, Fe$_3X$ ($X$=Al, Ga) and Co$_3$Sn$_2$S$_2$, we performed a first-principles study to clarify the origin of the enhancement of the transverse thermoelectric conductivity ($\alpha_{ij}$) in these ferromagnets.
Materials Science Mesoscale and Nanoscale Physics
no code implementations • 27 Jul 2019 • Ion Errea, Francesco Belli, Lorenzo Monacelli, Antonio Sanna, Takashi Koretsune, Terumasa Tadano, Raffaello Bianco, Matteo Calandra, Ryotaro Arita, Francesco Mauri, José A. Flores-Livas
The relevance of quantum fluctuations in the energy landscape found here questions many of the crystal structure predictions made for hydrides within a classical approach that at the moment guide the experimental quest for room-temperature superconductivity [4, 5, 6].
Superconductivity Materials Science
1 code implementation • 23 Jul 2019 • Giovanni Pizzi, Valerio Vitale, Ryotaro Arita, Stefan Blügel, Frank Freimuth, Guillaume Géranton, Marco Gibertini, Dominik Gresch, Charles Johnson, Takashi Koretsune, Julen Ibañez-Azpiroz, Hyungjun Lee, Jae-Mo Lihm, Daniel Marchand, Antimo Marrazzo, Yuriy Mokrousov, Jamal I. Mustafa, Yoshiro Nohara, Yusuke Nomura, Lorenzo Paulatto, Samuel Poncé, Thomas Ponweiser, Junfeng Qiao, Florian Thöle, Stepan S. Tsirkin, Małgorzata Wierzbowska, Nicola Marzari, David Vanderbilt, Ivo Souza, Arash A. Mostofi, Jonathan R. Yates
Wannier90 is an open-source computer program for calculating maximally-localised Wannier functions (MLWFs) from a set of Bloch states.
Materials Science Computational Physics
1 code implementation • 29 Oct 2016 • Takashi Koretsune, Ryotaro Arita
We show an efficient way to compute the electron-phonon coupling constant, $\lambda$, and the superconducting transition temperature, Tc from first-principles calculations.
Superconductivity
