416 citations · 1.5k across the 24 of their papers we have counts for
25 papers
First Principles Theory of the Pressure Induced Invar Effect in FeNi Alloys
Amanda Ehn, Björn Alling, Igor A. Abrikosov
The FeNi alloy exhibits an anomalously low thermal expansion at ambient conditions, an effect that is known as the invar effect. Other FeNi alloys d…
Phase formation in CrFeCoNi nitride thin films
Smita G. Rao, Boburjon Mukhamedov, Gyula Nagy +9
As a single-phase alloy, CrFeCoNi is a face centered cubic (fcc) material related to the archetypical high-entropy Cantor alloy CrFeCoNiMn. For thin films, CrFeCoNi of approximatel…
Density Functional description of spin, lattice, and spin-lattice dynamics in antiferromagnetic and paramagnetic phases at finite temperatures
Davide Gambino, Oleksandr I. Malyi, Zhi Wang +2
Describing the (a) electronic and magnetic properties (EMP) of antiferromagnetic or paramagnetic phases of compounds generally requires the knowledge of (b) the spin configurations…
P-type behavior of CrN thin films by control of point defects
Arnaud le Febvrier, Davide Gambino, Fabien Giovannelli +5
We report the results of a combined experimental and theoretical study on nonstoichiometric CrN1+d thin films grown by reactive magnetron sputtering on c-plane sapphire, MgO (100)…
Interstitial Carbon in bcc HfNbTiVZr high entropy alloy from first principles
Luis Casillas-Trujillo, Ulf Jansson, Martin Sahlberg +6
The remarkable mechanical properties of high entropy alloys can be further improved by interstitial alloying. In this work we employ density functional theory calculations to study…
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.…