69 citations · 230 across the 6 of their papers we have counts for
6 papers
Descriptor for slip-induced crack-blunting in refractory ceramics
D. G. Sangiovanni, A. Kraych, M. Mrovec +4
Understanding the competition between brittleness and plasticity in refractory ceramics is of importance for aiding design of hard materials with enhanced fracture resistance. Insp…
Revealing the complex nature of bonding in binary high-pressure compound FeO
E. Koemets, I. Leonov, M. Bykov +21
Extreme pressures and temperatures are known to drastically affect the chemistry of iron oxides resulting in numerous compounds forming homologous series FeOFeO…
Electronic correlations in Fe at Earth's inner core conditions: effect of doping with Ni
O. Yu. Vekilova, L. V. Pourovskii, I. A. Abrikosov +1
We have studied the body-centered cubic (bcc), face-centered cubic (fcc) and hexagonal close-packed (hcp) phases of Fe alloyed with 25 at. % of Ni at Earth's core conditions using…
Impact of electronic correlations on the equation of state and transport in -Fe
L. V. Pourovskii, J. Mravlje, M. Ferrero +2
We have obtained the equilibrium volumes, bulk moduli, equations of state of the ferromagnetic cubic and paramagnetic hexagonal phases of iron in close agreement with exper…
Importance of correlation effects in hcp iron revealed by a pressure-induced electronic topological transition
K. Glazyrin, L. V. Pourovskii, L. Dubrovinsky +17
We discover that hcp phases of Fe and Fe0.9Ni0.1 undergo an electronic topological transition at pressures of about 40 GPa. This topological change of the Fermi surface manifests i…
A unified cluster expansion method applied to the configurational thermodynamics of cubic TiAlN
B. Alling, A. V. Ruban, A. Karimi +2
We study the thermodynamics of cubic Ti1-xAlxN using a unified cluster expansion approach for the alloy problem. The purely configurational part of the alloy Hamiltonian is expande…