Kotomin Eugene, Kuzovkov Vladimir, Popov Anatoli I, Maier Joachim, Vila Rafael
Max Planck Institute for Solid State Research , Stuttgart, Germany.
Institute of Solid State Physics, University of Latvia , Riga, Latvia.
J Phys Chem A. 2018 Jan 11;122(1):28-32. doi: 10.1021/acs.jpca.7b10141. Epub 2017 Dec 26.
The annealing kinetics of the primary electronic F-type color centers (oxygen vacancies with trapped one or two electrons) is analyzed for three ionic materials (AlO, MgO, and MgF) exposed to intensive irradiation by electrons, neutrons, and heavy swift ions. Phenomenological theory of diffusion-controlled recombination of the F-type centers with much more mobile interstitial ions (complementary hole centers) allows us to extract from experimental data the migration energy of interstitials and pre-exponential factor of diffusion. The obtained migration energies are compared with available first-principles calculations. It is demonstrated that with the increase of radiation fluence both the migration energy and pre-exponent are decreasing in all three materials, irrespective of the type of irradiation. Their correlation satisfies the Meyer-Neldel rule observed earlier in glasses, liquids, and disordered materials.The origin of this effect is discussed. This study demonstrates that in the quantitative analysis of the radiation damage of real materials the dependence of the defect migration parameters on the radiation fluence plays an important role and cannot be neglected.
针对三种离子材料（AlO、MgO和MgF），分析了其在电子、中子和重快离子的强辐照下，初级电子F型色心（捕获一个或两个电子的氧空位）的退火动力学。F型中心与移动性更强的间隙离子（互补空穴中心）的扩散控制复合现象学理论，使我们能够从实验数据中提取间隙离子的迁移能和扩散的指数前因子。将所得迁移能与现有的第一性原理计算结果进行比较。结果表明，在所有三种材料中，无论辐照类型如何，随着辐射通量的增加，迁移能和指数前因子均降低。它们的相关性符合先前在玻璃、液体和无序材料中观察到的迈耶-内德尔规则。讨论了这种效应的起源。本研究表明，在实际材料辐射损伤的定量分析中，缺陷迁移参数对辐射通量的依赖性起着重要作用，不容忽视。
