Effects of Multiple Local Environments on Electron Energy Loss Spectra of Epitaxial Perovskite Interfaces.
Effects of Multiple Local Environments on Electron Energy Loss Spectra of Epitaxial Perovskite Interfaces.
复制标题
多个局部环境对外延钙钛矿界面的电子能量损失光谱的影响。
DOI：
10.1021/acs.jpcc.2c06879
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发表时间：
2022-12-22
影响因子：
3.7
通讯作者：
Arredondo, Miryam A.
中科院分区：
文献类型：
--
作者：
Lawrence, Robert A.;Ramasse, Quentin M.;Holsgrove, Kristina M.;Sando, Daniel;Cazorla, Claudio;Valanoor, Nagarajan;Arredondo, Miryam A.
利用计算和实验技术研究了局域化学环境在复杂多铁氧化物电子能量损失谱中的作用。通过在晶体学上等效的位置上进行光谱平均以捕获局部O环境的周期性，考虑了O K-边缘在铁酸铋（BFO）和镧锶钡（LSMO）之间的界面上的演化。计算技术被用来研究单个原子环境对整个光谱的贡献，并考虑了掺杂和应变的作用。化学变化，即使在低水平，被发现有一个重大的影响的光谱特征，而应变只引起一个小的化学位移的边缘发病的能量。通过这些方法的组合，有可能解释实验观察到的效果，如光谱平坦的界面附近的光谱响应从多个本地原子环境的组合。
The role of local chemical environments in the electron energy loss spectra of complex multiferroic oxides was studied using computational and experimental techniques. The evolution of the O K-edge across an interface between bismuth ferrite (BFO) and lanthanum strontium manganate (LSMO) was considered through spectral averaging over crystallographically equivalent positions to capture the periodicity of the local O environments. Computational techniques were used to investigate the contribution of individual atomic environments to the overall spectrum, and the role of doping and strain was considered. Chemical variation, even at the low level, was found to have a major impact on the spectral features, whereas strain only induced a small chemical shift to the edge onset energy. Through a combination of these methods, it was possible to explain experimentally observed effects such as spectral flattening near the interface as the combination of spectral responses from multiple local atomic environments.
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影响因子：
2.7
作者：
Gao, Shang-Peng;Pickard, Chris J.;Milman, Victor
通讯作者：
Milman, Victor
影响因子：
3.7
作者：
Hautier, Geoffroy;Ong, Shyue Ping;Ceder, Gerbrand
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Ceder, Gerbrand
影响因子：
3.7
作者：
Bertinshaw, J.;Brueck, S.;Ulrich, C.
通讯作者：
Ulrich, C.
影响因子：
3.4
作者：
Guo, Er-Jia;Roldan, Manuel A.;Fitzsimmons, Michael R.
通讯作者：
Fitzsimmons, Michael R.
影响因子：
41.2
作者：
Kim, Young-Min;Morozovska, Anna;Borisevich, Albina Y.
通讯作者：
Borisevich, Albina Y.