Publication

Fully unconstrained approach to noncollinear magnetism: Application to small Fe clusters

Alfredo Pasquarello
1998
Journal Articles

Abstract

We develop a plane-wave pseudopotential scheme for noncollinear magnetic structures, based on a generalized local spin-density theory in which the direction of the magnetization is a continuous variable of position. We allow the atomic and magnetic structures to relax simultaneously and self-consistently. Application to small Fe clusters yields noncollinear magnetic structures for Fe-3 and Fe-5. The components of the magnetization density vary smoothly with position. The spin direction undergoes sizable changes only in the regions of small charge and spin density between the atoms and is generally uniform in the magnetic regions of the atoms.

Official source

https://infoscience.epfl.ch/entities/publication/34b7c19a-d48d-4c59-912a-ee7f357caf3d

About this result

This page is automatically generated and may contain information that is not correct, complete, up-to-date, or relevant to your search query. The same applies to every other page on this website. Please make sure to verify the information with EPFL's official sources.

Graph Chat

Chat with Graph Search

Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.

DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.

Alfredo Pasquarello
1998
Journal Articles

Abstract

Official source

https://infoscience.epfl.ch/entities/publication/34b7c19a-d48d-4c59-912a-ee7f357caf3d

About this result

Related concepts (32)

Magnetic domain

A magnetic domain is a region within a magnetic material in which the magnetization is in a uniform direction. This means that the individual magnetic moments of the atoms are aligned with one another and they point in the same direction. When cooled below a temperature called the Curie temperature, the magnetization of a piece of ferromagnetic material spontaneously divides into many small regions called magnetic domains. The magnetization within each domain points in a uniform direction, but the magnetization of different domains may point in different directions.

Magnetization

In classical electromagnetism, magnetization is the vector field that expresses the density of permanent or induced magnetic dipole moments in a magnetic material. Movement within this field is described by direction and is either Axial or Diametric. The origin of the magnetic moments responsible for magnetization can be either microscopic electric currents resulting from the motion of electrons in atoms, or the spin of the electrons or the nuclei. Net magnetization results from the response of a material to an external magnetic field.

Magnetic susceptibility

In electromagnetism, the magnetic susceptibility (; denoted χ, chi) is a measure of how much a material will become magnetized in an applied magnetic field. It is the ratio of magnetization M (magnetic moment per unit volume) to the applied magnetizing field intensity H. This allows a simple classification, into two categories, of most materials' responses to an applied magnetic field: an alignment with the magnetic field, χ > 0, called paramagnetism, or an alignment against the field, χ < 0, called diamagnetism.

Related publications (22)

Fully unconstrained approach to noncollinear magnetism: Application to small Fe clusters

Chat with Graph Search

Comparative Study of Magnetic Exchange Parameters and Magnon Dispersions in Nio and Mno From First Principles

Nanoscale NV-Center Magnetometry of a Synthetic Three-Dimensional Spin Texture

Spin Qubits in Germanium: Driving through Noise and Anisotropies