output
20042026
most citedSciPy 1.0--Fundamental Algorithms for Scientific Computing in Python

40.2k citations

Showing 2016 · cond-mat.mtrl-sciShow all

9 papers · 2 filters

cond-mat.mtrl-sci2016★ 7 cited

Local environment effects in the magnetic properties and electronic structure of disordered FePt

Saleem Ayaz Khan, Jan Minár, Hubert Ebert +2

Local aspects of magnetism of disordered FePt are investigated by ab initio fully relativistic full potential calculations, employing the supercell approach and the coherent potent…

cond-mat.mtrl-sci2016★ 10 cited

Impact of finite temperatures on the transport properties of Gd from first principles

Kristina Chadova, Sergiy Mankovsky, Jan Minár +1

Finite temperature effects have a pronounced impact on the transport properties of solids. In magnetic systems, besides the scattering of conduction electrons by impurities and pho…

cond-mat.mtrl-sci2016★ 8 cited

Influence of spin-orbit coupling on the magnetic dipole term

Ondrej Sipr, Jan Minar, Hubert Ebert

The influence of the spin-orbit coupling (SOC) on the magnetic dipole term is studied across a range of systems in order to check whether the term can be eliminated fro…

cond-mat.mtrl-sci2016★ 102 cited

Entanglement and manipulation of the magnetic and spin-orbit order in multiferroic Rashba semiconductors

J. Krempasky, S. Muff, F. Bisti +13

The interplay between electronic eigenstates, spin, and orbital degrees of freedom, combined with fundamental breaking of symmetries is currently one of the most exciting fields of…

cond-mat.mtrl-sci2016★ 10 cited

Illustrative view on the magnetocrystalline anisotropy of adatoms and monolayers

Ondrej Sipr, Sergey Mankovsky, Svitlana Polesya +3

Even though it has been known for decades that the magnetocrystalline anisotropy is linked to the spin-orbit coupling (SOC), the mechanism how it arises for specific systems is sti…

cond-mat.mtrl-sci2016★ 2 cited

Determination of surface and interface magnetic properties for the multiferroic heterostructure Co/BaTiO3 using SPLEED and ARPES

St. Borek, J. Braun, J. Minar +4

Co/BaTiO(001) is one of the most interesting multiferroic heterostructures as it combines different ferroic phases, setting this way the fundamentals for innovative technical a…

cond-mat.mtrl-sci2016★ 58 cited

Magnetocrystalline anisotropy of FePt: a detailed view

Saleem Ayaz Khan, Peter Blaha, Hubert Ebert +2

To get a reliable ab-initio value for the magneto-crystalline anisotropy (MCA) energy of FePt, we employ the full-potential linearized augmented plane wave (FLAPW) method and the f…

cond-mat.mtrl-sci2016★ 18 cited

Non-magnetic ground state of Ni adatoms on Te-terminated bismuth chalcogenide topological insulators

M. Vondracek, J. Honolka, L. Cornils +20

We report on the quenching of single Ni adatom moments on Te-terminated Bi2Te2Se and Bi2Te3 topological insulator surfaces. The effect becomes manifested as a missing X-ray magneti…

cond-mat.mtrl-sci2016★ 2 cited

Trends in magnetism of free Rh clusters via relativistic ab-initio calculations

Ondrej Sipr, Hubert Ebert, Jan Minar

A fully relativistic ab-initio study on free Rh clusters of 13-135 atoms is performed to identify general trends concerning their magnetism and to check whether concepts which prov…