22 citations · 22 across the 1 of their papers we have counts for
4 papers
Longitudinal spin fluctuations in bcc and liquid Fe at high temperature and pressure calculated with a supercell approach
Davide Gambino, Marian Arale Brännvall, Amanda Ehn +2
Investigation of magnetic materials at realistic conditions with first-principles methods is a challenging task due to the interplay of vibrational and magnetic degrees of freedom.…
Superionic-like diffusion in an elemental crystal: bcc Titanium
D. G. Sangiovanni, J. Klarbring, D. Smirnova +5
Recent theoretical investigations [Belonoshko et al. Nature Geoscience 10, 312 (2017)] revealed occurrence of concerted migration of several atoms in bcc Fe at inner-core temperatu…
Assessing the SCAN functional for itinerant electron ferromagnets
M. Ekholm, D. Gambino, H. J. M. Jönsson +3
Density functional theory is a standard model for condensed matter theory and computational material science. The accuracy of density functional theory is limited by accuracy of th…
Lattice relaxations in disordered Fe-based materials in the paramagnetic state from first principles
Davide Gambino, Björn Alling
In this work we propose a method for the structural relaxation of magnetic materials in the paramagnetic regime, in an adiabatic fast-magnetism approximation within the disordered…