8.6k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
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7 papers · 2 filters
Electron-phonon interaction and phonons in 2d doped semiconductors
Francesco Macheda, Thibault Sohier, Paolo Barone +1
Electron-phonon interaction and phonon frequencies of doped polar semiconductors are sensitive to long-range Coulomb forces and can be strongly affected by screening effects of fre…
Temperature Dependent Zero-Field Splittings in Graphene
C. Bray, K. Maussang, C. Consejo +15
Graphene is a quantum spin Hall insulator with a 45 eV wide non-trivial topological gap induced by the intrinsic spin-orbit coupling. Even though this zero-field spin splitting…
Magnetic imaging with spin defects in hexagonal boron nitride
P. Kumar, F. Fabre, A. Durand +13
Optically-active spin defects hosted in hexagonal boron nitride (hBN) are promising candidates for the development of a two-dimensional (2D) quantum sensing unit. Here, we demonstr…
The impact of valley profile on the mobility and Kerr rotation of transition metal dichalcogenides
Thibault Sohier, Pedro M. M. C. de Melo, Zeila Zanolli +1
The transport and optical properties of semiconducting transition metal dichalcogenides around room temperature are dictated by electron-phonon scattering mechanisms within a compl…
Disorder-induced topological phase transition in HgCdTe crystals
Sergey S. Krishtopenko, Mauro Antezza, Frédéric Teppe
Using the self-consistent Born approximation, we study a topological phase transition appearing in bulk HgCdTe crystals induced \emph{uncorrelated} disorder due to both randomly di…
High-throughput computational screening of nanoporous materials in targeted applications
Emmanuel Ren, Philippe Guilbaud, François-Xavier Coudert
Due to their chemical and structural diversity, nanoporous materials can be used in a wide variety of applications, including fluid separation, gas storage, heterogeneous catalysis…
Advancement of the Homogeneous Background Method for the Computational Simulation of Electrochemical Interfaces
Arthur Hagopian, Marie-Liesse Doublet, Jean-Sébastien Filhol +1
Computational studies of electrochemical interfaces based on density-functional theory (DFT) play an increasingly important role in present research on electrochemical processes fo…