Formation Mechanism of Hybridization Gap in Kondo Insulators based on a Realistic Band Model and Application to YbB_<12>
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概要
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Copyright(c)2003 The Physical Society of JapanA new LDA+U band calculation is performed on the Kondo insulator material YbB12 and an energy gap of about 0.001Ryd is obtained. Based on this, a simple tight-binding model with 5dε and 4f Γ8 orbitals on Yb atoms and the nearest neighbor σ-bonds between them is constructed with a good agreement to the above the LDA+U calculation near the gap. The density of states is also calculated and the shape is found to be very asymmetric with respect to the gap. A formation mechanism of the gap is clarified for the first time in a realistic situation with the orbital degeneracies in both conduction bands and the f states. This model can be a useful starting point for incorporating the strong correlation effect, and for understanding all the thermal, thermoelectric, transport and magnetic properties of YbB12.
- 社団法人日本物理学会の論文
- 2003-05-15
著者
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Harima Hisatomo
The Institute Of Scientific And Industrial Research Osaka University
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Saso Tetsuro
Department Of Physics Faculty Of Science Saitama University
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Saso Tetsuro
Department Of Physics Faculty Of Sciences Saitama University
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SASO Tetsuro
Department of Physics, Faculty of Sciences, Saitama University
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