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In silico, structural, electronic and magnetic properties of colloidal magnetic nanoparticle Cd14FeSe15
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Keywords

Functional density theory
Iron impurities
Nanoparticles
CdSe
GGA approximation

How to Cite

Fereydouni, E., & Moradian, R. (2018). In silico, structural, electronic and magnetic properties of colloidal magnetic nanoparticle Cd14FeSe15. Journal of Research in Biology, 8(2), 2445-2450. Retrieved from https://ojs.jresearchbiology.com/index.php/jrb/article/view/465

Abstract

Cadmium Selenide (CdSe) is a colloidal compound in groups II-VI of the periodic table that has a hexagonal and sphalerite structure under normal conditions. In this paper, the structural, electrical, and magnetic properties of nanoparticles-Cadmium, selenide in its pure form, and the form in which iron is injected in the framework of functional density theory, by improved linear plane wave method with full potential and using GGA approximation were studied. The results showed that Iron atoms entered into nanoparticles of cadmium, selenide are more stable than the iron atoms on the nanoparticle surface. In both cases, we observed the emergence of magnetism and electric polarization. The result of the study showed that the pure CdSe have very low magnetic properties and it has a half-metal property by adding Fe to this combination.

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References

Al-Douri Y. 2003. The pressure effect of the bulk modulus seen by the charge density in CdX compounds. Materials Chemistry and Physics, 78(3): 625-629.

Blaha P, Schwarz K, Madsen GKH, Kvasnicka D and Luitz J. 2001. Wien2k, An augmented plane wave+ local orbitals program for calculating crystal properties. Vienna University of Technology, 188 p.

Erbarut E. 2003. Optical response functions of ZnS, ZnSe, ZnTe by the LOM method. Solid State Communications, 127(7): 515-519.

Hu JZ. 1987. A new high pressure phase of CdTe. Solid State Communications, 63(6): 471-474.

Kohn W and Sham LJ. 1965. Self-consistent equations including exchange and correlation effects. Physical Review, 140(4A): A1133-A1138.

Peter YYU and Cardona M. 2001. Fundamentals of Semiconductors; Physics and Materials Properties. 3rd ed., Springer-Verlag, Berlin and Heidelberg.

Salles BR, Kunc K, Eddrief M, Etgens VH, Finocchi F and Vidal F. 2009. Hexagon-on-cube versus cube-on-cube epitaxy: The case of ZnSe(111) on SrTiO3 (001). Physical Review B, 79(15): 1-5.

Sowa H. 2005. On the mechanism of the pressure-induced wurtzite-to NaCl-type phase transition in CdS: an X-ray diffraction study. Solid State Sciences, 7(1): 73-78.

Tomimoto S, Nozawa S, Terai Y, Kuroda S, Takita K and Masumoto Y. 2010. Anisotropic spin dynamics of confined electrons in CdTe/ZnTe quantum structures. Physical review B, 81(12): 1-10.

Wei SH and Zhang SB. 2000. Structure stability and carrier localization in Cd X (X= S, Se, Te) semiconductors. Physical Review B, 62(11): 6944.

Wright K and Gale JD. 2004. Interatomic potentials for the simulation of the zinc-blende and wurtzite forms of ZnS and CdS: Bulk structure, properties, and phase stability. Physical Review B, 70(3): 035211.

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