DYNAMICAL BEHAVIOR OF X-RAY ABSORPTION AND SCATTERING AT THE L EDGE OF TITANIUM COMPOUNDS : EXPERIMENT AND THEORY
DYNAMICAL BEHAVIOR OF X-RAY ABSORPTION AND SCATTERING AT THE L EDGE OF TITANIUM COMPOUNDS : EXPERIMENT AND THEORY
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钛化合物边缘 X 射线吸收和散射的动力学行为：实验与理论
DOI：
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发表时间：
1999
期刊：
影响因子：
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通讯作者：
R. Perera
中科院分区：
文献类型：
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作者：
José Jiménez;J. Ek;D. Ederer;T. A. Callcott;J. Jia;J. Carlisle;L. Terminello;A. Asfaw;R. Perera
本文给出了金属Ti和TiO以及绝缘TiO{sub 2}和BaTiO{sub 3}中钛{ital L}吸收边附近x射线荧光演化的详细实验结果和模型计算。在所有样品中都发现了x射线拉曼散射的行为特征。我们开发了一个模型，描述了在L{sub 3}吸收阈值以下的价带发射，根据计算的部分态密度和Kramers-Heisenberg x射线散射形式。模型中状态的投影密度采用线性松饼-锡轨道带结构计算。在L{sub 3}吸收边以下的区域，所有化合物的实验结果与模型吻合良好。我们提出了TiO{sub 2}和BaTiO{sub 3}发射光谱能量转移的机制。对喇曼能量损失的解释也提供了一个价电子激发成{ital d}对称的局域状态在导带。{版权所有}{ital 1999} {ital美国物理学会}
Detailed experimental results and model caclulations for the evolution of the x-ray fluorescence in the vicinity of the {ital L} absorption edge of titanium in metallic Ti and TiO and insulating TiO{sub 2} and BaTiO{sub 3} are presented. Behavior characteristic of x-ray Raman scattering was found in all samples. We develop a model that describes the valence band emission below the L{sub 3} absorption threshold in terms of the calculated partial density of states and the Kramers-Heisenberg x-ray scattering formalism. Linear muffin-tin orbital band structure calculations were used for the projected density of states in the model. In the region below the L{sub 3} absorption edge very good agreement between experiment and the model was found for all compounds. We propose a mechanism for the energy shift of the emission spectra for TiO{sub 2} and BaTiO{sub 3}. An explanation of the Raman energy loss in terms of the excitation of a valence electron into localized states of {ital d} symmetry in the conduction band is also provided. {copyright} {ital 1999} {ital The American Physical Society}