A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Substituent effects on exchange anisotropy in single- and multiorbital organic radical magnets (2024)

Marbey, J., Mailman, A., Oakley, R., Hill, S., & Winter, S. (2024). Substituent effects on exchange anisotropy in single- and multiorbital organic radical magnets. Physical Review Materials, 8(4), Article 044406. https://doi.org/10.1103/PhysRevMaterials.8.044406

JYU-tekijät tai -toimittajat

Julkaisun tiedot

Julkaisun kaikki tekijät tai toimittajat: Marbey, Jonathan; Mailman, Aaron; Oakley, Richard, T.; Hill, Stephen; Winter, Stephen, M.

Lehti tai sarja: Physical Review Materials

ISSN: 2476-0455

eISSN: 2475-9953

Julkaisuvuosi: 2024

Ilmestymispäivä: 19.04.2024

Volyymi: 8

Lehden numero: 4

Artikkelinumero: 044406

Kustantaja: American Physical Society (APS)

Julkaisumaa: Yhdysvallat (USA)

Julkaisun kieli: englanti

DOI: https://doi.org/10.1103/PhysRevMaterials.8.044406

Julkaisun avoin saatavuus: Ei avoin

Julkaisukanavan avoin saatavuus: 

Julkaisu on rinnakkaistallennettu (JYX): https://jyx.jyu.fi/handle/123456789/94842

Tiivistelmä

The contribution of heavy-atom substituents to the overall spin-orbit interaction in two classes of organic radical molecular magnets is discussed. In “single-orbital” radicals, spin-orbit coupling (SOC) effects are well described with reference to pairwise anisotropic exchange interactions between singly occupied spin-bearing orbitals on neighboring molecules; anisotropy requires the presence of spin density on heavy-atom sites with principal quantum number n > 3. In “multiorbital” radicals, SOC involving virtual orbitals also contributes to anisotropic exchange and, as a result, the presence of heavy (n > 3) atoms in formally non-spin-bearing sites can enhance pseudodipolar ferromagnetic interaction terms. To demonstrate these effects, ferromagnetic and antiferromagnetic resonance spectroscopies have been used to probe the exchange anisotropy in two organic magnets, one a “single-orbital” ferromagnet, the other a “multiorbital” spin-canted antiferromagnet, both of which contain a heavy-atom iodine (n = 5) substituent. While the symmetry of the singly occupied molecular orbital in both radicals precludes spin-orbit contributions from iodine to the overall exchange anisotropy, the symmetry and energetically low-lying nature of the lowest unoccupied molecular orbital in the latter allows for appreciable spin density at the site of iodine substitution and, hence, a large exchange anisotropy.

YSO-asiasanat: heterosykliset yhdisteet; vapaat radikaalit; kiteet; magneettiset ominaisuudet; molekyylifysiikka

Vapaat asiasanat: magnetic anisotropy; magnetic interactions; magnetic order; molecular magnetism; spin-orbit coupling techniques; density functional theory; electron spin resonance; ferromagnetic resonance

Liittyvät organisaatiot

OKM-raportointi: Kyllä

Raportointivuosi: 2024

Alustava JUFO-taso: 2