@article{oai:miyazaki-u.repo.nii.ac.jp:00002600, author = {小嶋, 稔 and Oshima, Minoru and Yoshino, Kenji and 吉野, 賢二 and Ikari, Tetsuo and 碇, 哲雄 and 小嶋, 稔 and Oshima, Minoru}, journal = {宮崎大学工学部紀要, Memoirs of Faculty of Engineering, University of Miyazaki}, month = {Jul}, note = {We performed first-principles calculations to investigate the effects of F impurity on the electronic properties of SnO2. We determined, firstly, the electronic structure of SnO2, its valence band maximum was an O 2p orbital and its conduction band minimum was predominantly antibonding Sn 5s and O 2p orbitals. Secondly, the electronic structure of the doped SnO2 was calculated. As n-type dopants, the F impurity exhibited shallow donor levels in the conduction band. These calculation results were in good agreement with our previous experiment that we obtained the low resistivity SnO2.}, pages = {117--121}, title = {第一原理計算による酸化金属系透明導電膜の解析}, volume = {41}, year = {2012}, yomi = {オシマ, ミノル and ヨシノ, ケンジ and イカリ, テツオ and オシマ, ミノル} }