52 citations · 223 across the 17 of their papers we have counts for
4 papers · 1 filter
Examining the surface phase diagram of IrTe with photoemission
M. Rumo, C. W. Nicholson, A. Pulkkinen +13
In the transition metal dichalcogenide IrTe, low-temperature charge-ordered phase transitions involving Ir dimers lead to the occurrence of stripe phases of different periodici…
First-principles study of the impact of grain boundary formation in the cathode material LiFePO4
Jan Kuriplach, Aki Pulkkinen, Bernardo Barbiellini
Motivated by the need to understand the role of internal interfaces in Li migration occurring in Li-ion batteries, a first principles study of a coincident site lattice grain bound…
Correlation in noncollinear antiferromagnetic -Mn
Aki Pulkkinen, Bernardo Barbiellini, Johannes Nokelainen +10
We have investigated the interplay between magnetic and structural degrees of freedom in elemental Mn. The equilibrium volume is shown to depend critically on the magnetic interact…
Correlation effects on ground-state properties of ternary Heusler alloys: first-principles study
V. D. Buchelnikov, V. V. Sokolovskiy, O. N. Miroshkina +5
The strongly constrained and appropriately normed (SCAN) semi-local functional for exchange-correlation is deployed to study the ground-state properties of ternary Heusler alloys t…