Zobrazeno 1 - 10
of 38
pro vyhledávání: '"Kováčik, Roman"'
Autor:
Kováčik, Roman, Murthy, Sowmya Sathyanarayana, Quiroga, Carmen E., Ederer, Claude, Franchini, Cesare
Publikováno v:
Phys. Rev. B 93, 075139 (2016)
We merge advanced ab initio schemes (standard density functional theory, hybrid functionals and the GW approximation) with model Hamiltonian approaches (tight-binding and Heisenberg Hamiltonian) to study the evolution of the electronic, magnetic and
Externí odkaz:
http://arxiv.org/abs/1511.03545
An important contribution to the thermoelectric and spin-caloric transport properties in magnetic materials at elevated temperatures is the formation of a spin-disordered state due to local moment fluctuations. This effect has not been largely invest
Externí odkaz:
http://arxiv.org/abs/1410.8057
Publikováno v:
Phys. Rev. B 89, 134417 (2014)
The fundamental aspects of spin-dependent transport processes and their interplay with temperature gradients, as given by the spin Seebeck coefficient, are still largely unexplored and a multitude of contributing factors must be considered. We used d
Externí odkaz:
http://arxiv.org/abs/1401.6939
Rubidium superoxide, RbO_2, is a rare example of a solid with partially-filled electronic p states, which allows to study the interplay of spin and orbital order and other effects of strong electronic correlations in a material that is quite differen
Externí odkaz:
http://arxiv.org/abs/1206.1423
Autor:
Kovacik, Roman, Ederer, Claude
We use maximally localized Wannier functions to construct tight-binding (TB) parameterizations for the e_g bands of LaMnO_3 based on first principles electronic structure calculations. We compare two different ways to represent the relevant bands aro
Externí odkaz:
http://arxiv.org/abs/1104.1292
The incompatibility of partial d occupation on the perovskite B-site with the standard charge transfer mechanism for ferroelectricity has been a central paradigm in multiferroics research. Nevertheless, it was recently shown by density functional the
Externí odkaz:
http://arxiv.org/abs/1011.4486
Autor:
Kovacik, Roman, Ederer, Claude
Publikováno v:
Phys. Rev. B 81, 245108 (2010)
Maximally localized Wannier functions (MLWFs) based on Kohn-Sham band-structures provide a systematic way to construct realistic, materials specific tight-binding models for further theoretical analysis. Here, we construct MLWFs for the Mn e_g bands
Externí odkaz:
http://arxiv.org/abs/0912.3197
Autor:
Kovacik, Roman, Ederer, Claude
We present results of GGA+U calculations for the "d^0 magnet" RbO_2, where magnetic properties are due to partially filled oxygen p orbitals. We show that on-site interactions on the oxygen sites lead to a strong tendency towards the formation of an
Externí odkaz:
http://arxiv.org/abs/0905.3721
