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钙钛矿陶瓷La1-xCaxMnO3 (x=0.10, 0.15, 0.20)的光电子能谱
作者:张红光 卞永淞 马笑尘 郑伟晗 李永涛 刘胜利 包刚 
单位:南京邮电大学理学院 南京210023 
关键词:庞磁电阻效应 光电子能谱 化学位移 锰酸镧 钙掺杂 
分类号:TB34
出版年,卷(期):页码:2014,42(7):857-861
DOI:10.7521/j.issn.0454-5648.2014.07.08
摘要:

对溶胶凝胶法制备的钙掺杂LaMnO3多晶陶瓷材料La1-xCaxMnO3 (x=0.10, 0.15,0.20)进行了X射线衍射和各个元素的光电子能谱研究,其X射线衍射实验表明:该系列样品表现出很好的单相性,其空间结构为正交型Pbnm。Mn2p,La4d,O1s能级的光电子能谱结果表明:当掺杂浓度较低时,Ca离子在La位的掺杂不会引起La和O元素电子组态的变化,只引起Mn离子的化学价态变化。利用组态相互作用团簇模型计算了Mn2p光电子能谱,得到晶体场分裂能10Dq=1.0eV,电荷转移能Δ=5eV,d轨道之间的库伦排斥能Udd=4eV,pd轨道之间的库伦排斥能Upd=4.4eV,过渡金属离子d轨道和近邻O离子之间的轨道杂化能T(eg)=3.8eV。

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The La1-xCaxMnO3 (x=0.10, 0.15,0.20) was prepared by a sol-gel method. The samples were characterized by X-ray diffraction and X-ray photoelectron spectroscopy. According to the results by XRD, these samples are awell-single phase with the Pbnm orthorhombic crystal structure. From the XPS spectra of Mn 2p,La 4d,O 1s core levels, there is little chemical shift for La and O ions, but a slight change for Mn ions at a low doping concentration. The Mn 2p core level was also calculated by a configuration interaction cluster model. The parameters are crystal field splitting energy (10Dq) of 1.0 eV, charge transfer (Δ) of 5 eV, dd Coulombic repulsion potential (Udd) of 4 eV, pd Coulombic repulsion potential (Upd) of 4.4 eV, and energy of transitional metal d orbital hybridized with ligand oxygen orbital (T(eg)) of 3.8 eV, respectively.

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基金项目:
南京邮电大学引进人才科研启动基金(NY213055);江苏省高校自然科学基金(13KJB140011);江苏省自然科学青年基金(BK20130858)。
作者简介:
第一作者:张红光(1985—),男,博士,讲师。
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