4 citations · 4 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2023
Calculated iron x-ray absorption and XMCD of spin-crossover Fe(phen)(NCS) molecule adsorbed on Cu(001) surface
R. Pasquier, M. Alouani
The PAW method has been used to compute the iron L edges of x-ray absorption spectra (XAS) and x-ray magnetic circular dichroism (XMCD) of the spin-crossover Fe(phen)…
cond-mat.mtrl-sci2022★ 4 cited
Inverse spin crossover in fluorinated Fe(1,10-phenanthroline)(NCS) adsorbed on Cu (001) surface
R. Pasquier, K. Rassoul, M. Alouani
Density functional theory (DFT) including van der Waals weak interaction in conjunction with the so called rotational invariant DFT+U, where is the Hubbard interaction of the i…