(材料化学）材料化学培训资料.pptxVIP

Electronic structure and oxygen defects in driving ferromagnetism in bulky CeO2组员：葛同广 ,马西飞, 刘东旭, 许峰 ,杨林荣The property of CeO2magnetic insulatorO vacancies and polarons CeO2high dielectric constantredox propertiesstable structure Exist large off-stoichiometric oxygen 铁磁性，是指物质中相邻原子或离子的/view/132270.htm磁矩由于它们的相互作用而在某些区域中大致按同一方向排列，当所施加的/view/132218.htm磁场强度增大时，这些区域的合磁矩定向排列程度会随之增加到某一极限值的现象1The effect of vacuum annealed2The result of re-heating in air3The role of oxygen vacanciesThe mechanism have proposed4Main contentcategory各掺杂体系单元表现的磁矩和各掺杂磁性离子对磁矩的贡献 可见掺杂体系的单元总磁矩和磁性离子贡献的磁矩随掺杂元素d轨道电子数的增加呈先增加后减小的趋势，在Mn 3d5时达到最大，这符合d轨道电子的排布规律。这随明掺杂磁性离子的d电子主要参与铁磁性耦合，s电子则明显的参与成j键. 掺杂的磁性离子与其在氧化物中的电子态显著不同：只有4s电子发生完全的电荷转移参与成键，这也决定了其在掺杂体系中大致的化合价；而3d电子主要参与了与自陷电子的交换耦合没有明显的电荷转移。 re-heated in air for the same conditionForth step?Third step ?Second step High purity ceria powderFist stepThe lattice parameter a = 5.4107? for CeO2 is in good agreement with the standard value The evacuation leads to a small expansion in the cell volume (V = 158.40 ?3 for CeO2 and V = 159.64 ?3 for evacuated sample )(Color online)The Ce 3d XPS spectra for pure CeO2,the vacuum-annealed CeO2: Vac, the air-heated CeO2: Htd, and the difference spectrum (CeO2:H) – (CeO2)V0 ,V1, U1 represent Ce3+, U3,Ce4+,respectly2Ce4+Lattice + 4O2?Lattice →VO+O+2Ce3+Lattice + 3O2?LatticeO deficiency is not confined tothe surface layers and rather uniformly created inremoved out after annealingOther’s resultShah et al, Co-doped bulk CeO2 samples exhibit ferromagnetic ordering linked with the VObutHowever, our findings show a contradiction with their prediction regarding the nondoped CeO2 Liu et al. who showed Ms to be independent of VO in CeO2 nanopowders Opinion: the defect induced ferromagnetism depends on locations of VO in the fluorite structureBut, the probing technique used in lacks sensitivity to detect small changes in the stoichiometryLi et al, claim that the RTFM does not relate to the VO but to the mixed valent Ce3+/ Ce4+ pairs at