108 citations · 866 across the 47 of their papers we have counts for
4 papers · 1 filter
One particle spectral function and analytic continuation for many-body implementation in the EMTO method
A. Östlin, L. Chioncel, L. Vitos
We investigate one of the most common analytic continuation techniques in condensed matter physics, namely the Padé approximant. Aspects concerning its implementation in the exact…
Quasi-non-local gradient-level exchange-correlation approximation for metals and alloys
H. Levämäki, L. Vitos, M. P. J. Punkkinen +1
The flexibility of common generalized gradient approximation for the exchange-correlation energy is investigated by monitoring the equilibrium volume of transition metals. It is sh…
Magnetic origin of chemical balance in alloyed Fe-Cr stainless steels: first-principles and Ising model study
E. Airiskallio, E. Nurmi, I. J. Väyrynen +5
Iron-chromium forms the basis of most of the stainless steel grades in the markets. Recently new insights into the physical and chemical properties of Fe-Cr based alloys have been…
Phase transformation in steel alloys for magnetocaloric applications; FeCrNi and FeCrMn as prototypes
P. Souvatzis, E. K. Delczeg-Czirjak, L. Vitos +1
We here show by first principles theory that it is possible to achieve a structural and magnetic phase transition in common steel alloys like FeCr, by alloying with N…