Crystal-field splittings in CeX (X = N, P, As, Sb, Bi) compounds
نویسندگان
چکیده
منابع مشابه
محاسبه‌ی گرادیانهای میدان الکتریکی در ترکیبات X=Bi, Sb))UX2
در این مقاله خواص الکترونی ترکیبات پادفرومغناطیس X=Bi, Sb))UX2 را با محاسبات ابتدا به ساکن بر پایهی نظریه‌ی تابعی چگالی با استفاده از روش امواج تخت بهبودیافته بهعلاوه‌ی اربیتالهای موضعی APW+lo)) بررسی کردهایم. برای محاسبه‌ی جمله پتانسیل تبادلی- همبستگی از تقریبهای LDA، GGA، LDA+U، GGA+U و هم‌چنین روش انرژی تبادلی دقیق الکترونهای همبسته (EECE) استفاده کردهایم. گرادیانهای میدان الکتریکی...
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ژورنال
عنوان ژورنال: Physica B: Condensed Matter
سال: 2006
ISSN: 0921-4526
DOI: 10.1016/j.physb.2006.05.228