Self-consistency, spin-orbit and other advances in the FDMNES code to simulate XANES and RXD experiments

被引:73
作者
Joly, Y. [1 ]
Bunau, O. [1 ]
Lorenzo, J. E. [1 ]
Galera, R. M. [1 ]
Grenier, S. [1 ]
Thompson, B.
机构
[1] CNRS, Inst Neel, F-38042 Grenoble 9, France
来源
14TH INTERNATIONAL CONFERENCE ON X-RAY ABSORPTION FINE STRUCTURE (XAFS14), PROCEEDINGS | 2009年 / 190卷
关键词
ANGULAR-DEPENDENCE; EDGE;
D O I
10.1088/1742-6596/190/1/012007
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
The present article is a brief critical review about the possibility of detecting charge and/or orbital order in transition-metal oxides by means of resonant x-ray diffraction. Many recent models of transition-metal oxides are based on charge and/or orbitally ordered groundstates and it has been claimed in the past that resonant x-ray diffraction is able to confirm or reject them. However, in spite of the many merits of this technique, such claims are ambiguous, because the interpretative frameworks used to analyze such results in transition-metal oxides, where structural distortions are always associated to the claimed charged/orbitally ordered transition, strongly influence (not to say suggest) the answer. In order to clarify this point, I discuss the two different definitions of orbital and charge orderings which are often used in the literature without a clear distinction. My conclusion is that the answer to the question of the title depends on which definition is adopted.
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页数:12
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