96 citations · 96 across the 1 of their papers we have counts for
5 papers
Three real-space discretization techniques in electronic structure calculations
T. Torsti, T. Eirola, J. Enkovaara +13
A characteristic feature of the state-of-the-art of real-space methods in electronic structure calculations is the diversity of the techniques used in the discretization of the rel…
Thermal collapse of spin-polarization in half-metallic ferromagnets
M. Lezaic, Ph. Mavropoulos, J. Enkovaara +2
The temperature dependence of the magnetization and spin-polarization at the Fermi level is investigated for half-metallic ferromagnets. We reveal a new mechanism, where the hybrid…
A First-Principles Investigation of Phonon Softenings and Lattice Instabilities in the Shape-Memory System NiMnGa
A. T. Zayak, P. Entel, J. Enkovaara +2
Ferromagnetic \nmg has unique magnetoelastic properties. These are investigated by detailed computational studies of the phonon dispersion curves for the non-modulated cubic \Ltw a…
Coexistence of ferro- and antiferromagnetic order in Mn-doped NiMnGa
J. Enkovaara, O. Heczko, A. Ayuela +1
Ni-Mn-Ga is interesting as a prototype of a magnetic shape-memory alloy showing large magnetic field induced strains. We present here results for the magnetic ordering of Mn-rich N…
First-principles calculations of spin spirals in Ni2MnGa and Ni2MnAl
J. Enkovaara, A. Ayuela, J. Jalkanen +2
We report here non-collinear magnetic configurations in the Heusler alloys Ni2MnGa and Ni2MnAl which are interesting in the context of the magnetic shape memory effect. The total e…