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Electronic states and cation distributions of MgAl2O4 and Mg0.4Al2.4O4 microwave dielectric ceramics
Journal of the European Ceramic Society ( IF 5.7 ) Pub Date : 2017-08-31 , DOI: 10.1016/j.jeurceramsoc.2017.08.022
Susumu Takahashi , Hirotaka Ogawa , Akinori Kan

The electronic state and microwave dielectric properties of MgAl2O4 prepared using solid-state (MA-S) and molten salt (MA-M) methods and those of Mg0.4Al2.4O4 (M04A24) were investigated. The λ values, which correspond to the fraction of Al3+ cations in tetrahedral sites, for MA-S, MA-M, and M04A24 were 0.23, 0.41, and 0.60, respectively. In molecular orbital calculations, a larger overlap was observed between Al-3s or Al-3p in tetrahedral sites and O-2p orbitals for M04A24, and the bond order for Alsingle bondO at tetrahedral sites of M04A24 (0.241) was higher than those for MA-S (0.178) and MA-M (0.205). The dielectric constant, εr, for M04A24 (7.6) was lower than those for MA-S and MA-M (both 7.9), and the highest quality factor, Q·f, was obtained for M04A24 (235, 800 GHz). It was found that the covalency of the Alsingle bondO bonds in the MO4 tetrahedra is closely related to the Qf values of the present ceramics.



中文翻译:

MgAl 2 O 4和Mg 0.4 Al 2.4 O 4微波介电陶瓷的电子态和阳离子分布

研究了用固态法(MA-S)和熔盐法(MA-M)制备的MgAl 2 O 4的电子态和微波介电性能,以及Mg 0.4 Al 2.4 O 4(M04A24)的电子态和微波介电性能。对于MA-S,MA-M和M04A24,与四面体位点中的Al 3+阳离子分数相对应的λ值分别为0.23、0.41和0.60。在分子轨道计算中,观察到四面体位点的Al-3 s或Al-3 p与M04A24的O-2 p轨道有较大的重叠,并且Al的键序单键M04A24的四面体位点的O(0.241)高于MA-S(0.178)和MA-M(0.205)的O. 介电常数,ε - [R ,用于M04A24(7.6)显着高于对MA-S和MA-M(均为7.9)低,并且最高品质因数,Q · ˚F,是为M04A24(235,800千兆赫)获得。结果发现,将Al的共价性单键的O键中号ö 4四面体是密切相关的Q · ˚F本陶瓷的值。

更新日期:2017-08-31
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