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Theoretical investigation of hydrogen storage in metal-intercalated graphitic materials
Manuel Cobian, Jorge Iniguez
We have used first-principles methods to investigate how metal atoms dispersed in the interlayer space of graphitic materials affect their hydrogen-binding properties. We have cons…
Hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides
D. I. Bilc, R. Orlando, R. Shaltaf +3
Using a linear combination of atomic orbitals approach, we report a systematic comparison of various Density Functional Theory (DFT) and hybrid exchange-correlation functionals for…
Intrinsic avalanches and collective phenomena in a Mn(II)-free radical ferrimagnetic chain
E. Lhotel, D. B. Amabilino, C. Sporer +3
Magnetic hysteresis loops below 300 mK on single crystals of the Mn(II) - nitronyl nitroxide free radical chain (Mn(hfac)_2({\it R})-3MLNN) present abrupt reversals of the magnetiz…
Magnetoelectric Coupling in epsilon-Fe2O3
M. Gich, C. Frontera, A. Roig +5
Nanoparticles of the ferrimagnetic epsilon-Fe2O3 oxide have been synthesized by sol-gel method. Here, we report on the measurements of the dielectric permittivity as a function of…