1.2k citations · 1.8k across the 10 of their papers we have counts for
10 papers
Giant magnetocaloric effect in the (Mn,Fe)NiSi-system
Sagar Ghorai, Rafael Martinho Vieira, Vitalii Shtender +7
The search for energy-efficient and environmentally friendly cooling technologies is a key driver for the development of magnetic refrigeration based on the magnetocaloric effect (…
Spherically symmetric density and potential of a hydrogen molecule
K. Kokko, Á. Nagy, J. Huhtala +2
Using a hydrogen molecule as a test system we demonstrate how to compute the effective potential according to the formalism of the new density functional theory (DFT), in which the…
A high-throughput and data-mining approach to predict new rare-earth free permanent magnets
Alena Vishina, Olga Yu. Vekilova, Torbjörn Björkman +3
We present an application of a high-throughput search of new rare-earth free permanent magnets focusing on 3d-5d transition metal compounds. The search involved a part of the ICSD…
Testing several recent van der Waals density functionals for layered structures
Torbjörn Björkman
Six recently developed exchanged functionals for pairing with different two versions of van der Waals density functionals (vdW-DF) are tested for weakly bonded solids. The test, us…
Electronic structure and magnetic properties of Mn, Co, and Ni-substitution of Fe in Fe4N
Patrizia Monachesi, Torbjörn Björkman, Thomas Gasche +1
The magnetic properties of Mn, Co and Ni substituted Fe4N are calculated from first principles theory. It is found that the generalized gradient approximation reproduces with good…
Are we van der Waals ready?
T. Björkman, A. Gulans, A. V. Krasheninnikov +1
We apply a range of density-functional-theory-based methods capable of describing van der Waals interactions to weakly bonded layered solids in order to investigate their accuracy…