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arXiv 0807.2115cond-mat.mtrl-sciphysics.acc-ph
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二价金属钨酸盐的光吸收:带隙能量与阳离子半径的关系

Optical absorption of divalent metal tungstates: Correlation between the band-gap energy and the cation ionic radius

R. Lacomba-Perales, J. Ruiz-Fuertes, D. Errandonea, D. Martinez-Garcia, A. Segura

摘要:

我们进行了光吸收和反射率在室温下在AWO 4钨酸盐(A = Ba,Ca,Cd,Cu,Pb,Sr,和Zn)的单晶的测量。从实验结果中,它们的带隙能量已被确定为5.26 eV(BaWO 4),5.08 eV(SrWO 4),4.94 eV(CaWO 4),4.15 eV(CdWO 4),3.9-4.4 eV(ZnWO 4),3.8-4.2 eV(PbWO 4),和2.3 eV(CuWO 4)。结果进行了讨论,在所研究的钨酸盐的电子结构。已经发现,那些化合物,其中只有s电子状态的A2+阳离子杂化与O 2 p和W 5d状态(如BaWO 4)有更大的带隙能量比那些也p,d,和f状态的A2+阳离子有助于价带的顶部和底部的导带(如PbWO 4)。鉴于先前公布的数据存在很大的差异,这些结果很重要。

英文摘要:

We have carried out optical-absorption and reflectance measurements at room temperature in single crystals of AWO4 tungstates (A = Ba, Ca, Cd, Cu, Pb, Sr, and Zn). From the experimental results their band-gap energy has been determined to be 5.26 eV (BaWO4), 5.08 eV (SrWO4), 4.94 eV (CaWO4), 4.15 eV (CdWO4), 3.9-4.4 eV (ZnWO4), 3.8-4.2 eV (PbWO4), and 2.3 eV (CuWO4). The results are discussed in terms of the electronic structure of the studied tungstates. It has been found that those compounds where only the s electron states of the A2+ cation hybridize with the O 2p and W 5d states (e.g BaWO4) have larger band-gap energies than those where also p, d, and f states of the A2+ cation contribute to the top of the valence band and the bottom of the conduction band (e.g. PbWO4). The results are of importance in view of the large discrepancies existent in prevoiusly published data.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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