Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1861082 | Physics Letters A | 2015 | 5 Pages |
Abstract
The first-principles calculations were conducted to investigate the effect of Fe doping in different positions on the electronic structure, chemical bonds and dielectric properties of o-Mn7C3. In contrast with pure o-Mn7C3, the reduced density of states at the Fermi level and the increased peak separation between both sides of the Fermi level are observed in Fe-doped o-Mn7C3, suggesting that Fe doping enhances the covalency of CMn bonds and yet weakens the metallicity of o-Mn7C3. Moreover, Fe doping causes a red shift of the dielectric properties. In microwave field, the interband transition of 3d electrons is apt to take place.
Related Topics
Physical Sciences and Engineering
Physics and Astronomy
Physics and Astronomy (General)
Authors
Wei Li, Jin Chen, Jiujiu Hao, Lina Guo, Peide Han, Zhiliang Chen,