Vibrational states for hydrogen in palladium
نویسندگان
چکیده
منابع مشابه
Vibrational states for hydrogen in palladium.
Vibrational potentials for hydrogen isotopes in PdH and Pd4H are determined from first-principles total-energy calculations. The strong anharmonicity of the potential for H around octahedral sites must be taken into account beyond perturbation theory. For PdH good quantitative agreement of our calculated vibration energies with inelastic-neutron-scattering (INS) results is achieved, allowing a ...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 1991
ISSN: 0163-1829,1095-3795
DOI: 10.1103/physrevb.44.10377