This article reviews the microscopic origin of properties due to transition-metal (TM)
impurities, M, in insulator materials. Particular attention is paid to the influence of pressure …

The origin of the spectrochemical series and the different dependence of crystal-field
splitting (10 Dq) and Racah parameters on the metal− ligand distance, R, is explored …

Abstract Changes undergone by optical and magnetic properties of O h, T d and D 4h
Transition metal (TM) complexes induced by variations of the metal-ligand distance, R, are …

The structural behavior of CsCdF 3 under pressure is investigated by means of theory and
experiment. High-pressure powder x-ray diffraction experiments were performed up to a …

The RhCl64− Jahn–Teller centre in NaCl has been explored through Density Functional
calculations on clusters involving up to 39 atoms for different values of the Qθ (≈ 3z2− r2) …

The local relaxation around Fe 3+ impurities in different fluoride lattices has been explored
by means of density-functional (DF) calculations on clusters including up to third neighbors …

Although the lattice constants of K Mg F 3 (normal cubic perovskite structure) and Ba Li F 3
(inverted perovskite) materials differ only by 0.3%, there is a significant difference between …

The cubic field splitting parameter, 10Dq, plays a central role in the ligand field theory on
insulating transition metal compounds. Experimental data obtained in the last 50 years …

This work reviews new ideas developed in the last two decades which play a key role for
understanding the optical properties of insulating materials containing transition metal (TM) …

In this paper we review the concepts of dynamic and static Jahn-Teller (JT) effects and study
their influence in the electron paramagnetic resonance (EPR) spectra of transition metal …