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Electric state and chemical bonding of (Mg4-xMnx)Nb2O9 microwave dielectric ceramics

机译:(Mg4-xMnx)Nb2O9微波介电陶瓷的电态和化学键合

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摘要

Solid solutions of (Mg(4-x)Mnx)Nb2O9 (MMN), which have a corundum-type structure, showed a single phase over the entire composition range, and lattice parameters of MMN linearly increased with increased composition x. From the calculation of cation-oxygen bonds in Nbo(6) and Mo-6 W = Mg and Mn) octahedra, it was found that the covalency of the Nb-O bond was decreased by the Mn substitution for Mg; the molecular orbital calculation in (NbM12O45)(-61) cluster models also revealed that the covalency of the Nb-O bond in the (NbMn12O45)(-61) cluster model is smaller than that of the Nb-O bond in the (NbMg12O15)(-61) cluster model. This result is attributed to the differences in the density of state, which arise from the overlap population of Mg-3d, Mn-3d, Nb-5s, and O-2p orbitals. The dielectric constant and Q(.)f values varied from I I to 16 and from 2 10,000 to 50,000 GHz, respectively. Thus, it is considered that these variations in the microwave dielectric properties may be related to the covalency of the cation-oxygen bonds.
机译:具有刚玉型结构的(Mg(4-x)Mnx)Nb2O9(MMN)的固溶体在整个组成范围内显示出单相,并且MMN的晶格参数随组成x的增加而线性增加。通过计算Nbo(6)和Mo-6 W = Mg和Mn)八面体中的阳离子-氧键,发现通过Mn替代Mg可以降低Nb-O键的共价性。 (NbM12O45)(-61)团簇模型的分子轨道计算也显示(NbMn12O45)(-61)团簇模型中Nb-O键的共价性小于(NbMg12O15)中Nb-O键的共价性)(-61)群集模型。该结果归因于状态密度的差异,这是由Mg-3d,Mn-3d,Nb-5s和O-2p轨道的重叠种群引起的。介电常数和Q(f)值分别从I I到16和从2 10,000到50,000 GHz不等。因此,认为微波介电性能的这些变化可能与阳离子-氧键的共价性有关。

著录项

  • 来源
    《Journal of Materials Research》 |2005年第9期|p. 2456-2461|共6页
  • 作者

    Kan A; Ogawa H; Yokoi A;

  • 作者单位

    Meijo Univ, Fac Sci & Technol, Tempaku Ku, Nagoya, Aichi 4688502, Japan;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 工程材料学;
  • 关键词

    CRYSTAL-STRUCTURE;

    机译:晶体结构;

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