Magnetic properties

Theory & Simulation (Theory & Simulation )

With this techniques, magnetic properties of materials can be modeled with state-of-the-art techniques based on first-principles modeling of the electronic structure of the system. The quantum mechanical description of the electrons involved is based on the density functional theory (DFT) formulation of quantum mechanics. This techniques allows the simulation of bulk materials, nanostructres, surfaces, 2-dimensional materials.

Here we provide a list of the magnetic properties that can be simulated via this technique. They include:

- Simulation of ground-state properties of magnetic systems: simulation of multicomponent magnetic one-, two- and three-dimensional solids, including hyperfine fields; simulation of collinear and non-collinear magnetism, determination of exchange parameters.

- Simulation of spin-orbit related properties: topological and Chern insulators, Rashba and Dresselhaus effect, magnetic anisotropies, Dzyaloshinskii-Moriya interaction.

- Simulation of magneto-chiral spectra: simulation of magneto-chiral dichroism.

 

 

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          provided by:
CNR-IOM (TS)
Italy
ICN2
Spain
UMIL
Italy
EPFL
Switzerland
JÜLICH
Germany
CNR-ISM
Italy
CNR-IOM (TS)
Italy
Quantum ESPRESSO
Collinear and non collinear spin polarized calculations, spin orbit effects
ICN2
Spain
SIESTA
Magnetic properties of materials Spin-orbit interactions Topological insulators Magnetic proximity effects Magnetic order and interactions in materials Magnetic anisotropy Spin dynamics
CNR-ISM
Italy
Yambo
Yambo is a general purpose tool for theoretical spectroscopy. The code can perform several kind of calculations (https://www.yambo-code.eu/about/). Among these there is the simulation of the magnetic and spin properties of materials. Yambo works in a fully spinorial basis and can include the effect of spin-orbit and time-dependent as well as static magnetic fields.
JÜLICH
Germany
FLEUR