کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1560000 999511 2016 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Orbital physics in transition-metal oxides from first-principles
ترجمه فارسی عنوان
فیزیک مدار در اکسید های فلز گذرا از اصول اولیه
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه سایر رشته های مهندسی مکانیک محاسباتی
چکیده انگلیسی

Transition-metal oxides often possess charge, spin, and orbital degrees of freedom, and they are a platform for many functional materials. It is the interplay among those degrees of freedom which gives rise to the diverse properties, typically associated with the orbital physics. In this article, we will provide an overview of our first-principles studies on the orbital physics in transition-metal oxides, which include (1) orbital ordering in the layered manganite La0.5Sr1.5MnO4 due to an anisotropic crystal field, (2) orbital ordering in the ferromagnetic insulator Cs2AgF4, (3) spin–orbital state transition and varying electronic and magnetic properties in the cobaltate series La2−xSrxCoO4, and (4) spin–orbit coupling and Ising magnetism in Ca3Co2O6, Ca3CoMnO6, and Sr3NiIrO6. Apparently, orbital physics spans 3d–4d–5d transition-metal oxides.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Materials Science - Volume 112, Part B, 1 February 2016, Pages 459–466
نویسندگان
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