Study On The Strain Regulation Mechanism Of Fe₂Si Electromagnetic Characteristics

The information functional materials are the foundation and the precursor of information technology development.In the 21st century,the era of knowledge economy with the information industry as the core.The rapid development of information technology is oriented towards digitization and networking.Large-capacity information transmission,ultra-fast real-time information processing,and ultra-high-density information storage have become the goals pursued by modern information technology.The organic combination and coordinated development between faster computing speeds and more diversified integration functions will be the trend of future electronic technology development.Fe₂Si is a new type of half-metallic ferromagnetic material with high Curie temperature and spin polarization,it can epitaxially grow on silicon substrate.Therefore,Fe₂Si is the material of choice for manufacturing high performance,low power and fast storage electronics,making it an ideal source for semiconductor spintronic injection.However,because Fe₂Si is a hexagonal crystal structure and the un-filled Fe-3d orbitals in the system tend to form complex electron interactions,exhibiting novel electromagnetic properties,which bring tremendous value and difficulties to the research.In this paper,the electronic structure and the magnetic properties of Fe₂Si bulk have been calculated by the first-principle density function theory method.Starting from the 3d electronic states of Fe₂Si compounds,the electronic states of Fe-3d were determined in Fe₂Si electronic system,their electronic structures and electromagnetic properties were calculated.The spin transfer,charge transfer,orbital transition and long-range electron correlation energy transfer properties of Fe-3d electronic states in Fe₂Si compounds were studied and their correlations with electromagnetic properties were investigated.The strain control method is used to control the electronic properties of the Fe₂Si system such as spin state,transfer charge and electron transition.The influence of electromagnetic field on the properties of Fe₂Si was analyzed,and the strain control mechanism of the electromagnetic properties of Fe₂Si was revealed,which provided theoretical support for the study of Fe₂Si material.Half-metallic ferromagnet Fe₂Si has instability,that is,due to the thermal disturbance caused by the temperature increase,the structural defects brought by the surface and impurities will destroy the semimetallic property,resulting in the decrease of the spin polarization rate.Therefore,the paper uses the method of Mn doping and strain to control the electromagnetic properties of Fe₂Si bulk.The paper is based on the predecessors'foundation,and some new characteristics of Fe₂Si bulk are calculated by using material simulation software based on density functional theory.These results provide better guidance for exploring the magnetic mechanism and experimental synthesis stability of the Fe₂Si ferromagnetic material.