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Electronic and mechanical properties of half-metallic half-Heusler compounds CoCrZ(Z=S,Se, and Te) 下载免费PDF全文
The electronic structures, magnetic properties, half-metallicity, and mechanical properties of half-Heulser compounds CoCrZ(Z = S, Se, and Te) were investigated using first-principles calculations within generalized gradient approximation based on the density function theory. The half-Heusler compounds show half-metallic properties with a half-metallic gap of 0.15 eV for CoCrS, 0.10 eV for CoCrSe, and 0.31 eV for CoCrTe at equilibrium lattice constant, respectively. The total magnetic moments are 3.00μB per formula unit, which agrees well with the Slater-Pauling rule. The half-metallicity,elastic constants, bulk modulus, shear modulus, Pough's ratio, Frantesvich ratio, Young's modulus, Poisson's ratio, and Debye temperature at equilibrium lattice constant and versus lattice constants are reported for the first time. The results indicate that the half-Heulser compounds CoCrZ(Z = S, Se, and Te) maintain the perfect half-metallic and mechanical stability within the lattice constants range of 5.18-5.43 for CoCrS, 5.09-5.61 for CoCrSe, and 5.17-6.42 for CoCrTe,respectively. 相似文献
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采用机械研磨工艺制备了片状羰基铁粉,并以此制备了羰基铁粉复合材料。研究了研磨时间对羰基铁粉复合材料电磁性能的影响,并对羰基铁粉吸波涂层进行了优化设计。结果表明:当研磨时间小于12 h时,随着研磨时间的增加,羰基铁粉复合材料的介电常数和磁导率逐渐增大。以研磨12 h的羰基铁粉(厚0.7 mm)为底层,原始羰基铁粉为表层(厚1.4 mm)的双层结构吸波涂层性能最优,其反射损耗在3.12~18.00 GHz频域范围内小于–8 dB,在2~18 GHz频域范围内为–9.8 dB(平均值)。该双层结构涂层可用于微波低频段的宽频薄层吸波涂层的制备。 相似文献
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