Oxygen hole paramagnetic centers in γ-irradiated DKDP single crystals

Abstract

The ESR (electron spin resonance) investigation of two types of an oxygen hole center in -irradiated DKDP (KD 2 PO 4 ) single crystals is carried out. The room temperature spin-Hamiltonian constants are determined. The origin of the oxygen hole centers is discussed.

Structural and electronic properties and optical absorption of oxygen vacancy cluster defects in KDP crystals: hybrid density functional theory investigation

“…According to the EPR experiment, there are five sets of signal peaks of oxygen vacancies due to the cation vacancies near the oxygen vacancies affecting the resonance peaks of the oxygen vacancies. 25,54 Considering the charge conservation and the chemical environment in KDP crystals, oxygen vacancies (V O 2+ ) can compound with two potassium vacancies (V K − ) to form V O 2+ + 2V K − , or with two hydrogen vacancies (V H − ) to form V O 2+ + 2V H − , or simultaneously with a potassium vacancy and a hydrogen vacancy to form V O 2+ + V K − + V H − cluster defects. In order to build the models of oxygen vacancy cluster defects that can be stable in KDP crystals, the position of hydrogen vacancies and potassium vacancies is determined.…”

“…According to the EPR experiment, there are five sets of signal peaks of oxygen vacancies due to the cation vacancies near the oxygen vacancies affecting the resonance peaks of the oxygen vacancies. 25,54 Considering the charge conservation and the chemical environment in KDP crystals, oxygen vacancies (V O 2+ ) can compound with two potassium vacancies…”