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BIBTEX RIS

Site Occupation and Local Vibration of Hydrogen Isotopes in Hexagonal Ti<SUB>5</SUB>Si<SUB>3</SUB> H(D)<SUB>1&minus;<I>x</I></SUB>

1986; Japan Institute of Metals and Materials; Volume: 27; Issue: 9 Linguagem: Inglês

10.2320/matertrans1960.27.639

ISSN

2432-4701

Autores

Tsuyoshi Kajitani, T. Kawase, Kazuyoshi Yamada, Makoto Hirabayashi,

Tópico(s)

Boron and Carbon Nanomaterials Research

Resumo

A structure analysis of Ti5Si3D0.9 has been carried out to determine the deuterium trap sites by neutron powder diffraction with the Rietveld profile analysis. It is revealed that the deuterium atoms are located at octahedral (2b) sites surrounded by six Ti atoms in the crystal structure of Ti5Si3D0.9, space group P63/mcm. Local vibration spectrum of hydrogen in Ti5Si3H0.83 measured by neutron inelastic scattering supports this result; the energy eigenvalue of the primary vibration mode is found at 7.53 kJ/mol (78 meV). The hole radius and the spring constant of the Ti–H(D) bond are discussed.

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