Study of half-metallic ferromagnetism and elastic properties of Cd1−x Cr x Z (Z=S, Se)
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- 作者：Anita Rani ; Ranjan Kumar
- 刊名：Applied Physics A: Materials Science & Processing
- 出版年：2016
- 出版时间：December 2016
- 年：2016
- 卷：122
- 期：12
- 全文大小：2,984 KB
- 刊物类别：Physics and Astronomy
- 刊物主题：Physics
Condensed Matter
Optical and Electronic Materials
Nanotechnology
Characterization and Evaluation Materials
Surfaces and Interfaces and Thin Films
Operating Procedures and Materials Treatment - 出版者：Springer Berlin / Heidelberg
- ISSN：1432-0630
- 卷排序：122
文摘
We have studied the structural, electronic and magnetic properties of Cd1−xCrxS and Cd1−xCrxSe diluted magnetic semiconductors in zinc blende (B3) phase at x = 0.25, 0.125 and 0.0625. The calculations have been performed using DFT (density functional theory) as implemented in SIESTA code using LDA (local density approximation) as exchange–correlation (XC) potential. Study of band structures and DOS (density of states) shows HMF (half-metallic ferromagnetic) nature of Cd1−xCrxS and Cd1−xCrxSe alloys. The calculated values of s–d exchange constant Nα and p–d exchange constant Nβ show the magnetic behavior of these compounds. Moreover, both DMSs retain their half-metallic nature at 0.25, 0.125 and 0.0625 concentrations with 100% spin polarization at Fermi level (EF). Total magnetic moment of these compounds is due to 3d states of Cr atom and also existence of small induced magnetic moment on other non-magnetic atoms as well. HM robustness is also calculated as a function of lattice constants.