Magnetism and deformation of epitaxial Pd and Rh thin films

J 2016

Magnetism and deformation of epitaxial Pd and Rh thin films

KÁŇA, Tomáš; Erwin HÜGER; Dominik LEGUT; Miroslav ČÁK; Mojmír ŠOB et al.

Základní údaje

Originální název

Magnetism and deformation of epitaxial Pd and Rh thin films

Autoři

KÁŇA, Tomáš; Erwin HÜGER; Dominik LEGUT; Miroslav ČÁK a Mojmír ŠOB

Vydání

Physical Review B, College PK, The American Physical Society, 2016, 2469-9950

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

10302 Condensed matter physics

Stát vydavatele

Spojené státy

Utajení

není předmětem státního či obchodního tajemství

Odkazy

URL

Impakt faktor

Impact factor: 3.836

Označené pro přenos do RIV

Ano

Kód RIV

RIV/00216224:14740/16:00092307

Organizační jednotka

Středoevropský technologický institut

Klíčová slova anglicky

CLOSE-PACKED PD; ELECTRONIC-STRUCTURE; PALLADIUM CLUSTERS; TETRAGONAL STATES; BAND-STRUCTURE; TOTAL-ENERGY; GROWTH; FERROMAGNETISM; SURFACE; RHODIUM

Štítky

rivok

Změněno: 13. 12. 2016 15:49, Mgr. Eva Špillingová

Anotace

V originále

By means of ab initio calculations, we investigated structural and magnetic properties of Pd and Rh thin films, determining their lattice parameters and epitaxial stresses when they are grown on various substrates, and provided a comparison with available experimental data. Further, we studied in detail the magnetic properties of Pd in the higher-energy hcp structure and of Rh in the higher-energy bcc structure. The results predict that the hcp(11 (2) over bar0) Pd films [grown by epitaxy on the Nb(001) substrate] should not be ferromagnetically ordered. Concerning the hcp Pd, we mainly investigated the influence of the hcp c/a ratio on the hcp film stability and on the ferromagnetic order. It turns out that the c/a ratio has to be below 1.622 to induce the ferromagnetic order in hcp Pd. We proposed a technological route for obtaining ferromagnetic hcp(11 (2) over bar0) Pd films and explained the experimentally observed ferromagnetism in twinned Pd nanoparticles induced by strain. We also found that bcc Rh is ferromagnetically ordered, but it cannot be stabilized in the form of thin films. Therefore, we investigated the dependence of ferromagnetic order in bct Rh on the tetragonal c/a ratio and compared our results with experiments performed on Rh/Fe(001) multilayers.

Návaznosti

LQ1601, projekt VaV

Název: CEITEC 2020 (Akronym: CEITEC2020)

Investor: Ministerstvo školství, mládeže a tělovýchovy ČR, CEITEC 2020

Citovat

KÁŇA, Tomáš; Erwin HÜGER; Dominik LEGUT; Miroslav ČÁK a Mojmír ŠOB. Magnetism and deformation of epitaxial Pd and Rh thin films. Physical Review B. College PK: The American Physical Society, 2016, roč. 93, č. 13, s. nestránkováno, 17 s. ISSN 2469-9950. Dostupné z: https://doi.org/10.1103/PhysRevB.93.134422.

@article{1364873,
   author = {Káňa, Tomáš and Hüger, Erwin and Legut, Dominik and Čák, Miroslav and Šob, Mojmír},
   article_location = {College PK},
   article_number = {13},
   doi = {https://doi.org/10.1103/PhysRevB.93.134422},
   keywords = {CLOSE-PACKED PD; ELECTRONIC-STRUCTURE; PALLADIUM CLUSTERS; TETRAGONAL STATES; BAND-STRUCTURE; TOTAL-ENERGY; GROWTH; FERROMAGNETISM; SURFACE; RHODIUM},
   language = {eng},
   issn = {2469-9950},
   journal = {Physical Review B},
   title = {Magnetism and deformation of epitaxial Pd and Rh thin films},
   url = {http://journals.aps.org/prb/pdf/10.1103/PhysRevB.93.134422},
   volume = {93},
   year = {2016}
}

TY  - JOUR
ID  - 1364873
AU  - Káňa, Tomáš - Hüger, Erwin - Legut, Dominik - Čák, Miroslav - Šob, Mojmír
PY  - 2016
TI  - Magnetism and deformation of epitaxial Pd and Rh thin films
JF  - Physical Review B
VL  - 93
IS  - 13
SP  - nestránkováno
EP  - nestránkováno
PB  - The American Physical Society
SN  - 24699950
KW  - CLOSE-PACKED PD
KW  - ELECTRONIC-STRUCTURE
KW  - PALLADIUM CLUSTERS
KW  - TETRAGONAL STATES
KW  - BAND-STRUCTURE
KW  - TOTAL-ENERGY
KW  - GROWTH
KW  - FERROMAGNETISM
KW  - SURFACE
KW  - RHODIUM
UR  - http://journals.aps.org/prb/pdf/10.1103/PhysRevB.93.134422
L2  - http://journals.aps.org/prb/pdf/10.1103/PhysRevB.93.134422
N2  - By means of ab initio calculations, we investigated structural and magnetic properties of Pd and Rh thin films, determining their lattice parameters and epitaxial stresses when they are grown on various substrates, and provided a comparison with available experimental data. Further, we studied in detail the magnetic properties of Pd in the higher-energy hcp structure and of Rh in the higher-energy bcc structure. The results predict that the hcp(11 (2) over bar0) Pd films [grown by epitaxy on the Nb(001) substrate] should not be ferromagnetically ordered. Concerning the hcp Pd, we mainly investigated the influence of the hcp c/a ratio on the hcp film stability and on the ferromagnetic order. It turns out that the c/a ratio has to be below 1.622 to induce the ferromagnetic order in hcp Pd. We proposed a technological route for obtaining ferromagnetic hcp(11 (2) over bar0) Pd films and explained the experimentally observed ferromagnetism in twinned Pd nanoparticles induced by strain. We also found that bcc Rh is ferromagnetically ordered, but it cannot be stabilized in the form of thin films. Therefore, we investigated the dependence of ferromagnetic order in bct Rh on the tetragonal c/a ratio and compared our results with experiments performed on Rh/Fe(001) multilayers.
ER  -

KÁŇA, Tomáš; Erwin HÜGER; Dominik LEGUT; Miroslav ČÁK a Mojmír ŠOB. Magnetism and deformation of epitaxial Pd and Rh thin films. \textit{Physical Review B}. College PK: The American Physical Society, 2016, roč.~93, č.~13, s.~nestránkováno, 17 s. ISSN~2469-9950. Dostupné z: https://doi.org/10.1103/PhysRevB.93.134422.

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