A Calculation of Formation Energy and Electrical Resistivity of a Point Defect in Simple Metals
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概要
- 論文の詳細を見る
The formation energy and electrical resistivity of a point defect, a vacancy or interstitial atom, in simple metals were studied within the framework of second order perturbation, using the Heine-Abarenkov model potential. The formation energy of a vacancy calculated for Na, Mg, Al and Pb was generally close to the experimental one. The results were, however, given by a critical cancellation between energy change of electrostatic ion interaction and that of conduction electrons. The electrical resistivities of a vacancy in Na and Al were 1.20 and 0.84 μΩ cm/at% in first order, and 2.56 and 10.0 μΩ cm/at% in second order, respectively. The lattice relaxation around a vacancy in Al was roughly estimated under the assumption that displacement of ions can be expressed by an analytical function of distance from the vacancy. The relaxation and its effect on the formation energy and resistivity were very small. Furthermore a brief discussion about slow convergence in perturbation calculation was given.
- 社団法人日本物理学会の論文
- 1970-11-05
著者
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Yamamoto Toshiyuki
Department Of Physics Nagoya University:(present Address) Japan Electron Optics Laboratory Co. Ltd.
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Yamamoto Toshiyuki
Department Of Anatomy Tohoku University School Of Medicine
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