@article{oai:sucra.repo.nii.ac.jp:00012485, author = {佐宗, 哲郎 and Harima, Hisatomo}, issue = {5}, journal = {Journal of the Physical Society of Japan}, month = {}, note = {http://jpsj.ipap.jp/link?JPSJ/72/1131/ | http://jpsj.ipap.jp/link?JPSJ/72/1131/, A 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., Copyright(c)2003 The Physical Society of Japan, text, application/pdf}, pages = {1131--1137}, title = {Formation Mechanism of Hybridization Gap in Kondo Insulators based on a Realistic Band Model and Application to YbB_<12>}, volume = {72}, year = {2003}, yomi = {サソウ, テツロウ} }