First-principles calculation of the effects of tetragonal distortions on the Gilbert damping parameter of Co2MnSi

Abstract We propose a first-principles calculation method for the Gilbert damping constants α at finite temperatures. α is described by the torque correlation model in which the electronic structure is computed by the tight-binding linear muffin-tin orbital method. We include the finite-temperature effect as the transverse spin fluctuation in the disordered local moment picture within the coherent potential approximation. Applying the present method to bcc-Fe and L10-FePt, we demonstrate these temperature-dependent α. By comparing our calculated results with experimental results, we find the calculated values are less than half of the experimental values, reflecting the characteristics of the torque correlation model.

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FIRST PRINCIPLES CALCULATION OF THE PHONON SPECTRA OF SOLIDS

Le Journal de Physique Colloques ◽

10.1051/jphyscol:19816181 ◽

1981 ◽

Vol 42 (C6) ◽

pp. C6-625-C6-627 ◽

Cited By ~ 2

Author(s):

P. E. Van Camp ◽

V. E. Van Doren ◽

J. T. Devreese

Keyword(s):

First Principles ◽

First Principles Calculation ◽

Phonon Spectra

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First-Principles Calculation of a Chloride Susceptibility Index as a Scientific Descriptor for Repassivation Property of Corrosion Resistant Alloys

SSRN Electronic Journal ◽

10.2139/ssrn.3581344 ◽

2020 ◽

Author(s):

Huibin Ke ◽

Tianshu Li ◽

Pin Lu ◽

Gerald S. Frankel ◽

Christopher D. Taylor

Keyword(s):

First Principles ◽

First Principles Calculation ◽

Corrosion Resistant ◽

Susceptibility Index

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The Damping Term, from First Principles

10.1093/oso/9780198788669.003.0006 ◽

2017 ◽

Author(s):

Olle Eriksson ◽

Anders Bergman ◽

Lars Bergqvist ◽

Johan Hellsvik

Keyword(s):

Density Functional Theory ◽

First Principles ◽

Density Functional ◽

Spin Dynamics ◽

Damping Term ◽

Functional Theory ◽

Basic Principles ◽

Sham Equation ◽

Damping Parameter ◽

Simulation Cell

In the previous chapters we described the basic principles of density functional theory, gave examples of how accurate it is to describe static magnetic properties in general, and derived from this basis the master equation for atomistic spin-dynamics; the SLL (or SLLG) equation. However, one term was not described in these chapters, namely the damping parameter. This parameter is a crucial one in the SLL (or SLLG) equation, since it allows for energy and angular momentum to dissipate from the simulation cell. The damping parameter can be evaluated from density functional theory, and the Kohn-Sham equation, and it is possible to determine its value experimentally. This chapter covers in detail the theoretical aspects of how to calculate theoretically the damping parameter. Chapter 8 is focused, among other things, on the experimental detection of the damping, using ferromagnetic resonance.

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