Modification of the Electronic Structure and Density of States in Ferrite Oxides MnFe₂O₄ and CoFe₂O₄ through Lanthanide Doping

Authors

  • Ghyas Yassin

Keywords:

Density Functional Theory (DFT) – Lanthanum Doping – Ferrite Oxides – Electronic Structure – Density of States (DOS) – Superexchange Interaction – Magnetic Properties – CP2K Simulations – Band Gap Engineering – Spintronic Materials

Abstract

في هذا البحث، تمت دراسة التأثيرات الإلكترونية والمغناطيسية لتطعيم الأكاسيد الفريتية MnFe₂O₄ و CoFe₂O₄ بأيون اللانثانوم La³⁺ باستخدام نظرية الكثافة الوظيفية (DFT) ضمن برنامج. CP2K أظهرت النتائج أن التطعيم يؤدي إلى تمدد طفيف في الشبكة البلورية (≈0.6–0.7%) وانخفاض في فجوة الطاقة بمقدار 0.2 eV تقريبًا نتيجة إدخال مستويات 4f ضيقة قريبة من مستوى فيرمي. كما تبين أن التمدد البنيوي الناتج عن La³⁺ يزيد من زاوية Fe–O–Fe ويعزز تفاعل التبادل الفائق، ما يؤدي إلى تحسين الخصائص المغناطيسية واستقرار النظام. تشير هذه النتائج إلى أن التطعيم المنخفض باللانثانوم يمثل وسيلة فعالة لضبط الخصائص الإلكترونية والمغناطيسية للفريتات لاستخدامها في تطبيقات الإلكترونيات المغناطيسية الدقيقة ومواد الذاكرة المغناطيسية.

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Published

2022-11-22

How to Cite

1.
Yassin G. Modification of the Electronic Structure and Density of States in Ferrite Oxides MnFe₂O₄ and CoFe₂O₄ through Lanthanide Doping. TUJ-BA [Internet]. 2022Nov.22 [cited 2025Oct.31];44(5):41-54. Available from: https://journal.latakia-univ.edu.sy/index.php/bassnc/article/view/12685

Issue

Vol. 44 No. 5 (2022): Tishreen University Journal of Research and Scientific Studies - Basic Sciences Series

Section

Articles

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