Role of magnetism in the stability of the high-entropy alloy CoCrFeMnNi and its derivatives

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27640%2F19%3A10243650" target="_blank" >RIV/61989100:27640/19:10243650 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61989100:27740/19:10243650 RIV/00216208:11320/19:10402640

Výsledek na webu

<a href="https://journals.aps.org/prmaterials/abstract/10.1103/PhysRevMaterials.3.124410" target="_blank" >https://journals.aps.org/prmaterials/abstract/10.1103/PhysRevMaterials.3.124410</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1103/PhysRevMaterials.3.124410" target="_blank" >10.1103/PhysRevMaterials.3.124410</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Role of magnetism in the stability of the high-entropy alloy CoCrFeMnNi and its derivatives

Popis výsledku v původním jazyce

Multiprincipal element alloys, called high-entropy alloys represent a promising group of materials. They possess unique mechanical or electrical properties, which provide a wide range of potential applications. In general, mechanical or electrical properties of a material are influenced by the magnetic behavior. Therefore, in our work, we are exploring magnetic behavior of so-called &quot;Cantor alloy&quot; CoCrFeMnNi and its molybdenum based derivatives. Mo alloys were studied not only to carefully describe their properties but also to probe the magnetic behavior of the parent alloy by adding a nonmagnetic element. Based on ab initio calculations using the TB-LMTO-ASA (tight-binding linear-muffin-tin-orbital atomic-sphere approximation) method within CPA (coherent-potential approximation), we have found the ground-state magnetic structures of a particular alloy. We deal with various magnetic structures including complex structures beyond the simple FM or DLM phases. We show the influence of the presence of a particular element on the magnetic properties. It includes, e.g., magnitudes of magnetic moments or preferred magnetic phases. The calculations were extended by studying the magnetic exchange interaction employing the Liechtenstein formula. We clearly show the contribution of each element to the magnetism as a function of the composition or crystal structure. We provide a thorough description of magnetic behavior in the mentioned compounds.

Název v anglickém jazyce

Role of magnetism in the stability of the high-entropy alloy CoCrFeMnNi and its derivatives

Popis výsledku anglicky

Multiprincipal element alloys, called high-entropy alloys represent a promising group of materials. They possess unique mechanical or electrical properties, which provide a wide range of potential applications. In general, mechanical or electrical properties of a material are influenced by the magnetic behavior. Therefore, in our work, we are exploring magnetic behavior of so-called &quot;Cantor alloy&quot; CoCrFeMnNi and its molybdenum based derivatives. Mo alloys were studied not only to carefully describe their properties but also to probe the magnetic behavior of the parent alloy by adding a nonmagnetic element. Based on ab initio calculations using the TB-LMTO-ASA (tight-binding linear-muffin-tin-orbital atomic-sphere approximation) method within CPA (coherent-potential approximation), we have found the ground-state magnetic structures of a particular alloy. We deal with various magnetic structures including complex structures beyond the simple FM or DLM phases. We show the influence of the presence of a particular element on the magnetic properties. It includes, e.g., magnitudes of magnetic moments or preferred magnetic phases. The calculations were extended by studying the magnetic exchange interaction employing the Liechtenstein formula. We clearly show the contribution of each element to the magnetism as a function of the composition or crystal structure. We provide a thorough description of magnetic behavior in the mentioned compounds.

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

2019

Kód důvěrnosti údajů

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

Název periodika

Physical Review Materials

ISSN

2475-9953

e-ISSN

—

Svazek periodika

3

Číslo periodika v rámci svazku

12

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

10

Strana od-do

—

Kód UT WoS článku

000504653600006

EID výsledku v databázi Scopus

2-s2.0-85077395791