کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5496495 | 1399852 | 2017 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Density functional study of d0 half-metallic ferromagnetism in a bulk and (001) nano-surface of KP compound
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک و نجوم (عمومی)
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Density functional study of d0 half-metallic ferromagnetism in a bulk and (001) nano-surface of KP compound Density functional study of d0 half-metallic ferromagnetism in a bulk and (001) nano-surface of KP compound](/preview/png/5496495.png)
چکیده انگلیسی
According to many applications of half-metals in the spintronics devices, we investigate half-metallic properties of KP compound in rock-salt (RS), zinc-blende (ZB), cesium chloride (CsCl) and wurtzite (WZ) structural phases by using density functional theory. Results indicate that KP compound is half-metal in RS, ZB and WZ structures, while in CsCl structure, due to small lattice constant and failure of Stoner criterion, KP compound doesn't have any magnetic properties. Half-metallic gap values obtained are 0.47, 0.95 and 0.91 eV for RS, ZB, WZ structures, respectively. Although KP compound in CsCl structure is more stable than RS structure energetically, but from dynamical point of view only RS structure is stable and other structures are unstable. Calculations corresponding to (001) surface of RS structure demonstrate the conservation of bulk half-metallic properties in this crystallographic direction. So nano-layers of KP compound in RS structure might be an appropriate candidate for application in near future spintronics devices.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physics Letters A - Volume 381, Issue 30, 13 August 2017, Pages 2420-2425
Journal: Physics Letters A - Volume 381, Issue 30, 13 August 2017, Pages 2420-2425
نویسندگان
Marjan Kazemi, Peiman Amiri, Hamdollah Salehi,