575 citations · 1.9k across the 26 of their papers we have counts for
24 papers
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)…
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…
Quantum advantage in a molecular spintronic engine that harvests thermal fluctuation energy
Bhavishya Chowrira, Lalit Kandpal, Mathieu Lamblin +28
Recent theory and experiments have showcased how to harness quantum mechanics to assemble heat/information engines with efficiencies that surpass the classical Carnot limit. So far…
Magnetoresistance and spintronic anisotropy induced by spin excitations along molecular spin chains
K. Katcko, E. Urbain, L. Kandpal +23
Electrically manipulating the quantum properties of nano-objects, such as atoms or molecules, is typically done using scanning tunnelling microscopes and lateral junctions. The res…
Impact of single and double oxygen vacancies on electronic transport in Fe/MgO/Fe magnetic tunnel junctions
Beata Taudul, M. Bowen, M. Alouani
To study the impact of oxygen vacancies on spin-polarized transport, we have computed the electronic and transport properties of single (F centers) and paired (M centers) oxygen va…
Spin-driven electrical power generation at room temperature
K. Katcko, E. Urbain, B. Taudul +12
To mitigate climate change, our global society is harnessing direct (solar irradiation) and indirect (wind/water flow) sources of renewable electrical power generation. Emerging di…