Cohesive Energy of Diamond

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概要

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• The cohesive energy of diamond crystal has been calculated by the use of the SLCO (Semi-Localized Crystalline Orbital) method developed by Morita in 1958. One method of the orthogonalization of the crystalline orbitals is presented and performed in detail. The cohesive energy is calculated to be -0.24a.u./atom, which is in good agreement with the observed value, -0.273a.u./atom. It is pointed out that a configuration mixing of the anti-bonding orbitals to the bonding orbitals is an important factor in stabilizing the crystalline state. It is also noted that the neglect of the effect of the nonorthgonality of orbitals results in an unreasonable value +0.44a.u./atom for the cohesive energy.

• 社団法人日本物理学会の論文
• 1966-05-05

著者

• Goto Fumiaki

  Department Of Biology And Geosciences Graduate School Of Science And Engineering Shizuoka University

• Goto Fumiaki

  Department Of Physics Tohoku University

• Goto F.

  Department of Physics, Tohoku University

関連論文

• Exciton Structure in Alkali-Halide Crystals
• Cohesive Energy of Diamond
• Hollow Crystal of Wurzite Type CdS
• EFFECTS OF DOPAMINERGIC AGENTS ON IMPULSIVITY AND INTRACEREBRAL MONOAMINES IN THE DOMESTIC CHICK(Physiology,Abstracts of papers presented at the 76^ Annual Meeting of the Zoological Society of Japan)

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