Convergence study of the ab-initio calculated quadratic magneto-optical spectra in bcc Fe

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27640%2F18%3A10236696" target="_blank" >RIV/61989100:27640/18:10236696 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61989100:27740/18:10236696 RIV/00216208:11320/18:10387826

Výsledek na webu

<a href="https://www.sciencedirect.com/science/article/pii/S1569441017303681?via%3Dihub" target="_blank" >https://www.sciencedirect.com/science/article/pii/S1569441017303681?via%3Dihub</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.photonics.2018.06.006" target="_blank" >10.1016/j.photonics.2018.06.006</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Convergence study of the ab-initio calculated quadratic magneto-optical spectra in bcc Fe

Popis výsledku v původním jazyce

Using the WIEN2k code, we perform ab-initio calculations of the electronic structure and the permittivity tensor of bcc Fe with magnetization along the [001] and [011] directions. The electronic structure is calculated with various numbers of k -points in the full Brillouin zone and the convergence of the calculated data is being studied. Two exchange-correlation potentials are employed, namely LDA and GGA, and their effect on the outcoming spectra is shown. The permittivity tensor is obtained from the electronic structure by the Kubo formula. From the permittivity tensor the complex spectra of linear (K) and quadratic (Gs , 2G44) magneto-optical parameters are extracted. The spectra are compared to the literature.

Název v anglickém jazyce

Convergence study of the ab-initio calculated quadratic magneto-optical spectra in bcc Fe

Popis výsledku anglicky

Using the WIEN2k code, we perform ab-initio calculations of the electronic structure and the permittivity tensor of bcc Fe with magnetization along the [001] and [011] directions. The electronic structure is calculated with various numbers of k -points in the full Brillouin zone and the convergence of the calculated data is being studied. Two exchange-correlation potentials are employed, namely LDA and GGA, and their effect on the outcoming spectra is shown. The permittivity tensor is obtained from the electronic structure by the Kubo formula. From the permittivity tensor the complex spectra of linear (K) and quadratic (Gs , 2G44) magneto-optical parameters are extracted. The spectra are compared to the literature.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2018

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Photonics and Nanostructures - Fundamentals and Applications

ISSN

1569-4410

e-ISSN

—

Svazek periodika

32

Číslo periodika v rámci svazku

December 2018

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

4

Strana od-do

24-27

Kód UT WoS článku

000451653700005

EID výsledku v databázi Scopus

2-s2.0-85053204687