72 citations · 145 across the 5 of their papers we have counts for
5 papers
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…
Unexpected band gap increase in the Fe2VAl Heusler compound
A. Berche, M. Talla Noutack, M. -L. Doublet +1
Knowing the electronic structure of a material is essential in energy applications to rationalize its performance and propose alternatives. Materials for thermoelectric application…
Leading interactions in the - compound
Marie-Liesse Doublet, Marie-Bernadette Lepetit
The present study shows that the electronic structure of the - family of compounds () is based on weakly interacting two-leg ladders, in contra…
Similarities between the and Hubbard models in weakly correlated regimes
Marie-Bernadette Lepetit, Marie-Liesse Doublet, Philippe Maurel
We present a comparative study of the Hubbard and models far away from half-filling. We show that, at such fillings the Hamiltonian can be seen as an effective model of…
Correlation and Dimerization Effects on the Physical Behavior of the Charge Transfer Salts : A DMRG Study of the Quarter-Filling t-J Model
Marie-Liesse Doublet, Marie-Bernadette Lepetit
The present work studies the quasi one-dimensional -based compounds within a correlated model. More specifically, we focus our attention on the composed influence of th…