The pseudo-Jahn− Teller effect is the only source of instability and distortions of high-
symmetry configurations of polyatomic systems in nondegenerate states, and it contributes …

The formation of intrinsic defects by ionizing radiation in some ionic crystals in the anion
sublattice is only associated with the instability of the self-trapped exciton up to now. In this …

The existence of an off-centre distortion for impurities in cubic oxides is explored by Density
Functional Theory calculations. We find that models based on ionic radii are inadequate to …

The temperature dependent zero-field splitting parameters (ZFSPs) for Mn 2+ doped Cs 2
NaLaCl 6 are analyzed theoretically. Assuming two different structural distortions models we …

Недавно было показано, что в широкозонных материалах перестройка ближайшего
окружения или смещение примесного иона связаны с неустойчивостью некоторых …