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

AIP Advances ◽  
2017 ◽  
Vol 7 (5) ◽  
pp. 056009
Author(s):  
B. Pradines ◽  
R. Arras ◽  
L. Calmels
Keyword(s):  
First Principles ◽  
First Principles Calculation ◽  
Gilbert Damping ◽  
Damping Parameter

First-principles calculations for Gilbert damping constant at finite temperature

2021 ◽  
Author(s):  
Ryoya Hiramatsu ◽  
Daisuke Miura ◽  
Akimasa SAKUMA
Keyword(s):  
First Principles ◽  
Finite Temperature ◽  
Spin Fluctuation ◽  
Tight Binding ◽  
First Principles Calculation ◽  
Transverse Spin ◽  
Orbital Method ◽  
Correlation Model ◽  
Gilbert Damping ◽  
Experimental Values

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.

FIRST PRINCIPLES CALCULATION OF THE PHONON SPECTRA OF SOLIDS

1981 ◽  
Vol 42 (C6) ◽  
pp. C6-625-C6-627 ◽  
Author(s):  
P. E. Van Camp ◽  
V. E. Van Doren ◽  
J. T. Devreese
Keyword(s):  
First Principles ◽  
First Principles Calculation ◽  
Phonon Spectra

The Damping Term, from First Principles

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.

scholarly journals First-principles calculation of electronic, vibrational, and thermodynamic properties of triaminoguanidinium nitrate

2021 ◽  
Vol 27 (6) ◽  
Author(s):  
Wen-Guang Li ◽  
Yun-Dan Gan ◽  
Zhi-Xin Bai ◽  
Ming-Jian Zhang ◽  
Fu-Sheng Liu ◽  
...  
Keyword(s):  
Thermodynamic Properties ◽  
First Principles ◽  
First Principles Calculation
Sign in / Sign up

Export Citation Format

Share Document