کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1556560 | 999197 | 2014 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Structural Stability and Half Metallic Features of Zn0.5Cr0.5S under Pressure
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
شیمی مواد
پیش نمایش صفحه اول مقاله

چکیده انگلیسی
Spin-polarized first-principle was performed to study the structural stability and the electronic states of Cr doped ZnS with the Cr component of 50% in zincblende (ZB), wurtzite (W) and rocksalt (RS) structures under pressure. The results show that the zincblende and wurtzite structures become unstable under low pressures of about 4.68 and 9.61Â GPa, respectively, but the rocksalt structure can be maintained up to an extremely high pressure of about 32.92Â GPa. Both zincblende and wurtzite Zn0.5Cr0.5S display half metallic features under pressure, while rocksalt Zn0.5Cr0.5S exhibits metallic feature. The half metallic features can be ascribed to the stronger interactions between S-3p and Cr-3d states and the metallic feature is due to the higher crystal symmetry of rocksalt Zn0.5Cr0.5S. These results can provide helpful guidance for Cr doped ZnS to be used in spintronic devices.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Materials Science & Technology - Volume 30, Issue 3, March 2014, Pages 234-238
Journal: Journal of Materials Science & Technology - Volume 30, Issue 3, March 2014, Pages 234-238
نویسندگان
Yuhong Huang, Wanqi Jie, Yan Zhou, Gangqiang Zha,