Theoretical Study of Electron – Phonon Interactions Using Linear Response Theory
DOI:
https://doi.org/10.37375/sjfssu.v5i2.3351الكلمات المفتاحية:
Electron, Phonon interactions, linear Response theory, transition metalالملخص
في هذا العمل، قدمنا حلاً لدراسة تفاعلات الإلكترون - الفونون باستخدام مجموعة من النظريات مثل نظرية الاستجابة الخطية وإجراء مقارنة مع القيم المعملية المقاسة سابقاً. تركز هذه المقالة على ثلاثة معادن انتقالية، وهي Al و Moو. Nbإن نجاح نظرية الاستجابة الخطية إعتمد في الغالب على بعض الأساليب، مثل طريقة ستيرنهايمر، التي تستخدم مجموعات أساس muffin-tin بدلاً من مجموعات أساس الموجة المستوية لوظائف الموجة للإلكترون. وبالتالي، تم استخدام هذه الطريقة لحساب الذرة لتفاعل الإلكترون - الفونون الذي يعتمد على متجه الموجة. وجد أن حسابات الاستجابة الخطية للمعادن الانتقالية لدينا تتفق بشكل وثيق مع حسابات RMTA والنتائج التجريبية السابقة. وعلى العكس من ذلك، فإن سلوك دالة طيف النقل المحسوبة مشابه بشكل لافت للنظر لسلوك الموصل الفائق.
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