多尺度晶体材料的原位表征技术与计算模拟研究进展
陈昆峰1(
), 胡乾宇1, 刘锋2, 薛冬峰2()
), 胡乾宇1, 刘锋2, 薛冬峰2()
Multi-scale Crystallization Materials: Advances in in-situ Characterization Techniques and Computational Simulations
CHEN Kunfeng1(), HU Qianyu1, LIU Feng2, XUE Dongfeng2()
), HU Qianyu1, LIU Feng2, XUE Dongfeng2()
图9. 铌酸锂结构、缺陷、不同点缺陷的形成能与费米能的函数关系[
Fig. 9. Lithium niobate structure, defects and formation energy of different point defects as a function of Fermi energy[
(a, b) Crystallographic structures of stoichiometric LN and congruent LN with anti-site NbLi4+ and VLi− defects. Green octahedra indicate NbO6 and LiO6; (c) Formation energies of different point defects (NbLi4+, VLi−, and NbLi4+ + VNb5−) in LN as a function of Fermi energy
