A first principles study of Palladium-based full Heusler ferromagnetic Pd2MnSb compound

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11140%2F24%3A10473178" target="_blank" >RIV/00216208:11140/24:10473178 - isvavai.cz</a>

Výsledek na webu

<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=jRaXcnk72b" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=jRaXcnk72b</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1007/s11082-023-05463-8" target="_blank" >10.1007/s11082-023-05463-8</a>

Jazyk výsledku

angličtina

Název v původním jazyce

A first principles study of Palladium-based full Heusler ferromagnetic Pd2MnSb compound

Popis výsledku v původním jazyce

Density functional theory (DFT)-based calculations were used to calculate the physical properties of the full Heusler compound Pd2MnSb. The WIEN2K code is used with various approximations, such as generalized Gradient approximation (GGA) and (GGA + U) potentials, to investigate the structural, electronic, and magnetic responses. The unit volume cell is optimized to achieve the ground state energy level. The calculated band structure with both potentials confirms the metallic behavior of the selected compound, Pd2MnSb. The total density of states is also calculated by using these potentials, which confirms their metallic behavior. The calculated partial density of state with GGA and GGA + U potentials confirmed the particular contribution of atoms. We have calculated the magnetic properties with the GGA and GGA + U potentials to find out the total magnetic moment values that are suitable with the available experimental data. The calculated magnetic moments show that Pd2MnSb is a magnetized material. These investigated properties show that Pd2MnSb has metallic magnetized characteristics and is perfectly suitable for the applications of mass storage devices as a ferromagnetic material.

Název v anglickém jazyce

A first principles study of Palladium-based full Heusler ferromagnetic Pd2MnSb compound

Popis výsledku anglicky

Density functional theory (DFT)-based calculations were used to calculate the physical properties of the full Heusler compound Pd2MnSb. The WIEN2K code is used with various approximations, such as generalized Gradient approximation (GGA) and (GGA + U) potentials, to investigate the structural, electronic, and magnetic responses. The unit volume cell is optimized to achieve the ground state energy level. The calculated band structure with both potentials confirms the metallic behavior of the selected compound, Pd2MnSb. The total density of states is also calculated by using these potentials, which confirms their metallic behavior. The calculated partial density of state with GGA and GGA + U potentials confirmed the particular contribution of atoms. We have calculated the magnetic properties with the GGA and GGA + U potentials to find out the total magnetic moment values that are suitable with the available experimental data. The calculated magnetic moments show that Pd2MnSb is a magnetized material. These investigated properties show that Pd2MnSb has metallic magnetized characteristics and is perfectly suitable for the applications of mass storage devices as a ferromagnetic material.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10305 - Fluids and plasma physics (including surface physics)

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2024

Kód důvěrnosti údajů

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

Název periodika

Optical and Quantum Electronics

ISSN

0306-8919

e-ISSN

1572-817X

Svazek periodika

56

Číslo periodika v rámci svazku

2

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

12

Strana od-do

248

Kód UT WoS článku

001131800900026

EID výsledku v databázi Scopus

2-s2.0-85180714881