zhpsЖурнал прикладной спектроскопииZhurnal Prikladnoii Spektroskopii0514-7506B. I. Stepanov Institute of Physics of the National Academy of Scienceszhps-210Research Article******ОЦЕНКА ПАРАМЕТРОВ СПИН-ГАМИЛЬТОНИАНА И ЛОКАЛЬНАЯ СТРУКТУРА ИОНОВ Cu2+, ДОПИРОВАННЫХ В СТЕКЛА xK2SO4-(50 - x)Na2SO4-50ZnSO4 С РАЗЛИЧНЫМИ КОНЦЕНТРАЦИЯМИ K2SO4EVALUATION OF SPIN HAMILTONIAN PARAMETERS AND LOCAL STRUCTURE OF Cu2+ DOPED ION IN xK2SO4-(50 - x)Na2SO4-50ZnSO4 GLASSES WITH VARIOUS K2SO4 CONCENTRATIONSDingCh. -Ch.DingCh. -Ch.ccding626@163.comWuSh. -Y.WuSh. -Y.noemail@neicon.ruXuY. -Q.XuY. -Q.noemail@neicon.ruZhangL. -J.ZhangL. -J.noemail@neicon.ruHeJ. -J.HeJ. -J.noemail@neicon.ruУниверситет электроники и технологии Китая, Школа физической электроникиUniversity of Electronic Science and Technology of China, School of Physical Electronics201810032020851168(1)-168(6)Copyright © Ding C.-., Wu S.-., Xu Y.-., Zhang L.-., He J.-., 20202020Ding C.-., Wu S.-., Xu Y.-., Zhang L.-., He J.-.Ding C.-., Wu S.-., Xu Y.-., Zhang L.-., He J.-.Данная работа распространяется под лицензией Creative Commons Attribution 4.0.This work is licensed under a Creative Commons Attribution 4.0 License.https://zhps.ejournal.by/jour/article/view/210

Теоретически изучены параметры спин-гамильтониана и локальные структуры удлиненных 3d9 кластеров ионов Cu2+ в стеклах xK2SO4-(50 - x)Na2SO4-50ZnSO4 с различными концентрациями K2SO4. Концентрационные зависимости параметров спин-гамильтониана обусловлены уменьшением по параболическому закону кубического полевого параметра Dq, фактора редукции орбитального момента k, относительного тетрагонального растяжения τ и поляризационной константы k с ростом x. Найдено, что группы [CuO6]10- подвергаются значительным удлинениям (на ~17 %) из-за эффекта Яна-Теллера. Рассчитанные кубические полевые расщепления и параметры спин-гамильтониана при различных концентрациях хорошо согласуются с экспериментальными данными.

The spin Hamiltonian parameters (SHPs), i.e., g factors and hyperfine structure constants, and local structures are theoretically studied by analyzing tetragonally elongated 3d9 clusters for Cu2+ in xK2SO4 - (50 - x)Na2SO4-50ZnSO4 glasses with various K2SO4 concentrations x. The concentration dependences of the SHPs are attributed to the parabolic decreases of the cubic field parameter Dq, orbital reduction factor k, relative tetragonal elongation ratio τ, and core polarization constant κ with x. The [CuO6]10- clusters are found to undergo significant elongations of about 17% due to the Jahn-Teller effect. The calculated cubic field splittings and the SHPs at various concentrations agree well with the experimental data.

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The authors declare that there are no conflicts of interest present.