Energy and Wave Functions of Interstitial Hydrogen in FCC and BCC Metals
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概要
- 論文の詳細を見る
Calculations have been performed of the energy and wave functions of H(D)atoms self-trapped on interstitial sites in fcc and bcc metals. The Schr6dingerequation for a H(D) atom is solved in the field of interaction potential with sur-rounding metal atoms approximated by a stun of central pair potentials. Bothground and excited states have been studied for the purpose of making comparisonwith observed optical mode spectra of inelastic neutron scattering.It is shown from these calculations that a consistent understanding can beobtained of the excitation energy of a II atom on the T-site in V, Nb, Ta (bcc),the 0-site in /?-Vll, (bct) and the 0-site in Pd (fcc).Comparison of the calculated wave functions with Fourier-reconstructed densitymaps from neutron diffraction experiments is also made.
- 社団法人日本物理学会の論文
- 1982-08-15
著者
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Fukai Yuh
Department Of Physics Chuo University
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Sugimoto Hidehiko
Department Of Electrical And Electronics Engineering Fukui University
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