LDA plus DMFT study of Ru-based perovskite SrRuO3 and CaRuO3

被引：32
|
作者：
Jakobi, E. [1 ]
Kanungo, S. [2 ]
Sarkar, S. [2 ]
Schmitt, S. [3 ]
Saha-Dasgupta, T. [2 ]
机构：
[1] Johannes Gutenberg Univ Mainz, Inst Phys, D-55099 Mainz, Germany
[2] SN Bose Ctr Basic Sci, Kolkata 700098, India
[3] Tech Univ Dortmund, DE-44221 Dortmund, Germany
来源：
PHYSICAL REVIEW B | 2011年 / 83卷 / 04期
关键词：
ELECTRONIC-STRUCTURE; TRANSPORT-PROPERTIES; TRANSITION;
D O I：
10.1103/PhysRevB.83.041103
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We carried out a LDA + DMFT study of perovskite ruthenates SrRuO3 and CaRuO3, compounds which have been discussed in great detail in recent literature. Our results reproduced the observed mass enhancements and magnetic properties, and were in reasonable agreement with the measured photoemission spectra. Our calculations produced rather different coherence temperatures for SrRuO3 and CaRuO3, providing a possible explanation for the observed differences between these compounds. We also present k-resolved spectra for the sake of comparison with future angle-resolved photoemission experiments.
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页数：4
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