388 citations · 1.7k across the 24 of their papers we have counts for
24 papers
2D hybrid CrCl2(N2C4H4)2 with tunable ferromagnetic half-metallicity
Wentao Hu, Ke Yang, Alessandro Stroppa +2
Two-dimensional ferromagnetic (2D FM) half-metal holds great potential for quantum magnetoelectronics and spintronic devices. Here, using density functional calculations and magnet…
Ru-doping on iron based pnictides: the "unfolded" dominant role of structural effects for superconductivity
M. Reticcioli, G. Profeta, C. Franchini +1
We present an ab-initio study of Ru substitution in two different compounds, BaFe2As2 and LaFeAsO, pure and F-doped. Despite the many similarities among them, Ru substitution has v…
Electron and hole doping in the relativistic Mott insulator SrIrO: a first-principles study using band unfolding technique
Peitao Liu, Michele Reticcioli, Bongjae Kim +5
We study the effects of dilute La and Rh doping on the electronic structure of the relativistic Mott insulator SrIrO using fully relativistic and magnetically non-collinear…
Common effect of chemical and external pressures on the magnetic properties of CoPO ( = La, Pr, Nd, Sm). II
G. Prando, G. Profeta, A. Continenza +5
The direct correspondence between Co band ferromagnetism and structural parameters is investigated in the pnictide oxides CoPO for different rare-earth ions ( = La, Pr, Nd, S…
Revisiting the Mn-doped Ge using the Heyd-Scuseria-Ernzerhof hybrid functional
A. Stroppa, G. Kresse, A. Continenza
We perform a comparative \textit{ab-initio} study of Mn-doped Germanium semiconductor using the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional, DFT+ and Heyd-Scuse…
Static and Dynamical Susceptibility of LaO1-xFxFeAs
M. Monni, F. Bernardini, G. Profeta +7
The mechanism of superconductivity and magnetism and their possible interplay have recently been under debate in pnictides. A likely pairing mechanism includes an important role of…