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First-principles Study on Magnetism and Magnetic Anisotropy of Low-dimension Materials

Author: ZhuQiuXiang
Tutor: PangHua
School: Lanzhou University
Course: Condensed Matter Physics
Keywords: Low-dimensional materials First Principle Anisotropy Photoconductive tensor
CLC: O481
Type: Master's thesis
Year: 2009
Downloads: 139
Quote: 0
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Abstract


Generalized gradient approximation full-potential linearized augmented plane wave method of 4d transition metal Ru single atomic layer and single- atom chain magnetism , magnetic anisotropy and optical properties. Single atomic layer and atomic magnetic moment per atom chains are 1.04μB. And 1.13μB. And has a large magnetic anisotropy energy . Single atomic layer of easy magnetization direction normal to the direction along the plane of atoms , monatomic easy magnetization axis perpendicular to the chain . By calculating complex light guide tensor of Ru optical properties of low- dimensional systems . Two systems have demonstrated optical anisotropy , especially one-dimensional single- atom chain . By study the electronic structure and optical anisotropy energy anisotropy of physical origin . Ru in the two low-dimensional systems, by different symmetry breaking leads to changes in the crystal field , and through the spin - orbit coupling to influence the magnetic anisotropy energy , and the light comes mainly from the crystal anisotropy guide structure anisotropy. Co 2 Si 2 of MAE near the Fermi level in a significant ups and downs. Doped Si layer through two methods and processing farm regulation MAE. Found two ways to change the mechanism of MAE are changing the band filling . The Fermi level of the system moves to higher energy . Study , Si layer is doped electric field processing , Co 2 Si 2 of almost no change in the band structure is a rigid electron energy band model . Co atoms in which the electron density has two significant changes in the system's contribution to MAE. For Co 2 Si n was found that with Si layer parity changes , Co 2 Si n of MAE appear in the levels in the easy magnetization direction and the direction perpendicular to the level of oscillation. Studies have shown that the electron density , Si layer parity enable Co 2 Si n of the two gaps at the Co atoms present different electron density distribution of the Co 2 Si n MAE of the main oscillation .

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CLC: > Mathematical sciences and chemical > Physics > Solid State Physics > Solid State Theory
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