کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1799734 | 1524866 | 2014 | 4 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: Origin of ferromagnetism in the half-Heusler XRbCs compounds (X=N, P and As) Origin of ferromagnetism in the half-Heusler XRbCs compounds (X=N, P and As)](/preview/png/1799734.png)
• Ab initio prediction on the magnetic properties of XRbCs half-Heusler, X=N, P and As.
• These hypothetical compounds are half-metal ferromagnets in their stable structure.
• The magnetism is due to the polarization p-states of X= N, P and As.
• The half-metallicity is maintained in a wide range of lattice constants.
A density functional theory was used to study the origin of ferromagnetism in the half-Heusler XRbCs compounds (where X =N, P, and As). The results predict a stable atomic arrangement with a ferromagnetic order. The spin-polarized calculations give a total magnetic moment of about 1μB. The most important property in these hypothetical compounds is that the half-metallicity is originated from the polarization of the p-orbitals originated from N, P, and As atoms. We also find that the half-metallicity is maintained on a wide range of lattice constants and therefore offers the possibility to grow such materials on various semiconductor substrates.
Journal: Journal of Magnetism and Magnetic Materials - Volume 354, March 2014, Pages 235–238