Effect of Spin–Orbit Coupling on Phonon-Mediated Magnetic Relaxation in a Series of Zero-Valent Vanadium, Niobium, and Tantalum Isocyanide Complexes

Autor:	Victor G. Young, John E. Ellis, Mihail Atanasov, Wayne W. Lukens, Frank Neese, Ruchira Chatterjee, Khetpakorn Chakarawet, Jeffrey R. Long
Rok vydání:	2021
Předmět:	Condensed matter physics Spintronics Chemistry Isocyanide Relaxation (NMR) Spin–orbit interaction Inorganic Chemistry Paramagnetism chemistry.chemical_compound Magnetic anisotropy Transition metal Condensed Matter::Strongly Correlated Electrons Physical and Theoretical Chemistry Spin (physics)
Zdroj:	Inorganic Chemistry. 60:18553-18560
ISSN:	1520-510X 0020-1669
DOI:	10.1021/acs.inorgchem.1c03173
Popis:	Spin-vibronic coupling leads to spin relaxation in paramagnetic molecules, and an understanding of factors that contribute to this phenomenon is essential for designing next-generation spintronics technology, including single-molecule magnets and spin-based qubits, wherein long-lifetime magnetic ground states are desired. We report spectroscopic and magnetic characterization of the isoelectronic and isostructural series of homoleptic zerovalent transition metal triad M(CNDipp)6 (M = V, Nb, Ta; CNDipp = 2,6-diisopropylphenyl isocyanide) and show experimentally the significant increase in spin relaxation rate upon going from V to Nb to Ta. Correlated electronic calculations and first principle spin-phonon computations support the role of spin-orbit coupling in modulating spin-phonon relaxation. Our results provide experimental evidence that increasing magnetic anisotropy through spin-orbit coupling interactions leads to increased spin-vibronic relaxation, which is detrimental to long spin lifetime in paramagnetic molecules.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4d6529273d43e2d771b9176e336c8f0a https://doi.org/10.1021/acs.inorgchem.1c03173 Zobrazit plný text záznamu