کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
7920076 1511487 2018 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
On the calculation of the inverse isotope effect in PdH(D): A Migdal-Eliashberg theory approach
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد مواد الکترونیکی، نوری و مغناطیسی
پیش نمایش صفحه اول مقاله
On the calculation of the inverse isotope effect in PdH(D): A Migdal-Eliashberg theory approach
چکیده انگلیسی
Replacement of hydrogen by deuterium in palladium hydride results in higher superconducting temperatures and in an anomalous isotope effect that has not been yet fully explained. In this work, we try a new approach to the explanation of the inverse isotope effect in PdH(D). Our approach introduces two new aspects. First, we took into account the experimental evidence that at temperatures below 50 K, the crystal structure of PdH and of PdD is zincblende. Second, we take into account not only the influence of the electron-phonon interaction but also the electron-electron interaction contribution to the isotope coefficient due to the replacement of deuterium in the place of hydrogen. We used the Migdal-Eliashberg theory to perform our ab initio calculations. We found in this picture that the electron-electron interaction is considerably reduced by the isotope substitution and is the most important factor to explain the inverse isotope effect. We found ΔTctotal=2.224K and α=−0.3134 in excellent agreement with the values found experimentally.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Physics and Chemistry of Solids - Volume 119, August 2018, Pages 80-84
نویسندگان
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