Magnetic properties of a Kramers doublet. An univocal bridge between experimental results and theoretical predictions

Alonso, P.J. (Universidad de Zaragoza) ; Martínez, J.I. (Universidad de Zaragoza)

Resumen: The magnetic response of a Kramers doublet is analysed in a general case taking into account only the formal properties derived from time reversal operation. It leads to a definition of a matrix G (gyromagnetic matrix) whose expression depends on the chosen reference frame and on the Kramers conjugate basis used to describe the physical system. It is shown that there exists a reference frame and a suitable Kramers conjugate basis that gives a diagonal form for the G-matrix with all non-null elements having the same sign. A detailed procedure for obtaining this canonical expression of G is presented when the electronic structure of the KD is known regardless the level of the used theory. This procedure provides a univocal way to compare the theoretical predictions with the experimental results obtained from a complete set of magnetic experiments. In this way the problems arising from ambiguities in the g-tensor definition are overcome. This procedure is extended to find a spin- Hamiltonian suitable for describing the magnetic behaviour of a pair of weakly coupled Kramers systems in the multispin scheme when the interaction between the two moieties as well as the individual Zeeman interaction are small enough as compared with ligand field splitting. Explicit relations between the physical interaction and the parameters of such a spin- Hamiltonian are also obtained.

Idioma: Inglés

DOI: 10.1016/j.jmr.2015.03.010

Año: 2015

Publicado en: JOURNAL OF MAGNETIC RESONANCE 255 (2015), 1-14
ISSN: 1090-7807

Factor impacto JCR: 2.889 (2015)

Categ. JCR: BIOCHEMICAL RESEARCH METHODS rank: 29 / 77 = 0.377 (2015) - Q2 - T2
Categ. JCR: SPECTROSCOPY rank: 11 / 43 = 0.256 (2015) - Q2 - T1
Categ. JCR: PHYSICS, ATOMIC, MOLECULAR & CHEMICAL rank: 10 / 35 = 0.286 (2015) - Q2 - T1

Factor impacto SCIMAGO: 1.111 - Biophysics (Q1) - Condensed Matter Physics (Q1) - Nuclear and High Energy Physics (Q2) - Biochemistry (Q2)

Financiación: info:eu-repo/grantAgreement/ES/DGA/B18
Financiación: info:eu-repo/grantAgreement/ES/MINECO/MAT2011-23861

Tipo y forma: Artículo (PostPrint)

Área (Departamento): Área Física Materia Condensada (Dpto. Física Materia Condensa.)