Surface-induced magnetism in intermetallics: Ni3Ge compound as a case study

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68081723%3A_____%2F19%3A00504188" target="_blank" >RIV/68081723:_____/19:00504188 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/00216224:14310/19:00113338

Výsledek na webu

<a href="https://www.sciencedirect.com/science/article/pii/S0304885318317475?via%3Dihub" target="_blank" >https://www.sciencedirect.com/science/article/pii/S0304885318317475?via%3Dihub</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.jmmm.2018.11.055" target="_blank" >10.1016/j.jmmm.2018.11.055</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Surface-induced magnetism in intermetallics: Ni3Ge compound as a case study

Popis výsledku v původním jazyce

By means of the first-principles calculations we investigate the magnetic properties of four low-index surfaces in the bulk nonmagnetic Ni3Ge intermetallic compound with the L12 structure. We predict that the (1 1 1) surface of Ni3Ge is magnetically ordered, with all magnetic moments located at the Ni sites. Magnetic order is also found at the Ni-terminated (0 0 1), (1 1 0) and (2 1 0) surfaces, however, the nonmagnetic NiGe-terminated surfaces are more stable similarly as in other L12 compounds. It turns out that the magnetic order in the bulk Ni3Ge is destroyed completely by the hybridization of Ge-p and Ni-d states and it is recovered at some surfaces due to the reduced coordinate number of Ni atoms. We also report on a particular distribution of magnetization at the Ni3Ge(1 1 1) surface where the ferromagnetic and anti-ferromagnetic-like states are degenerated because there are magnetically dead layers between the two magnetic surfaces and there is no interference between them. The calculated results obtained for Ni3Ge are compared with those for Ni3Al, the differences between these two compounds are discussed.

Název v anglickém jazyce

Surface-induced magnetism in intermetallics: Ni3Ge compound as a case study

Popis výsledku anglicky

By means of the first-principles calculations we investigate the magnetic properties of four low-index surfaces in the bulk nonmagnetic Ni3Ge intermetallic compound with the L12 structure. We predict that the (1 1 1) surface of Ni3Ge is magnetically ordered, with all magnetic moments located at the Ni sites. Magnetic order is also found at the Ni-terminated (0 0 1), (1 1 0) and (2 1 0) surfaces, however, the nonmagnetic NiGe-terminated surfaces are more stable similarly as in other L12 compounds. It turns out that the magnetic order in the bulk Ni3Ge is destroyed completely by the hybridization of Ge-p and Ni-d states and it is recovered at some surfaces due to the reduced coordinate number of Ni atoms. We also report on a particular distribution of magnetization at the Ni3Ge(1 1 1) surface where the ferromagnetic and anti-ferromagnetic-like states are degenerated because there are magnetically dead layers between the two magnetic surfaces and there is no interference between them. The calculated results obtained for Ni3Ge are compared with those for Ni3Al, the differences between these two compounds are discussed.

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

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2019

Kód důvěrnosti údajů

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

Název periodika

Journal of Magnetism and Magnetic Materials

ISSN

0304-8853

e-ISSN

—

Svazek periodika

474

Číslo periodika v rámci svazku

MARCH

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

9

Strana od-do

273-281

Kód UT WoS článku

000459494600039

EID výsledku v databázi Scopus

2-s2.0-85056582938