Open Access. Powered by Scholars. Published by Universities.®
Physical Sciences and Mathematics Commons™
Open Access. Powered by Scholars. Published by Universities.®
Articles 1 - 2 of 2
Full-Text Articles in Physical Sciences and Mathematics
Reduction Of Superconducting Transition Temperature And Flux Pinning In Al And C Codoped Mgb2 With Insight From First-Principles Calculations, Aihua Li, Xiaolin Wang, S X. Dou, Qiwen Yao, Zhenxiang Cheng, Saeid Soltanian, J M. Yoo, P Munroe
Reduction Of Superconducting Transition Temperature And Flux Pinning In Al And C Codoped Mgb2 With Insight From First-Principles Calculations, Aihua Li, Xiaolin Wang, S X. Dou, Qiwen Yao, Zhenxiang Cheng, Saeid Soltanian, J M. Yoo, P Munroe
Australian Institute for Innovative Materials - Papers
We report for the first time the Al and C codoping effect on the structures and superconductivity in MgB2. It was found that both the lattice parameters and the Tc decreased monotonically with increasing doping level of both Al and C. The Tc dropped to 27.5 and 7 K for x=0.2 and for x =0.4, respectively. The reduction of Tc for the codoping was found to be quicker than for individual Al doping and slower than for individual C doping at the same doping levels. First-principles calculations indicated that the observed decrease in Tc …
Optical Property And Electronic Band Structure Of A Piezoelectric Compound Ga3po7 Studied By The First-Principles Calculation, Zhenxiang Cheng, Xiaolin Wang
Optical Property And Electronic Band Structure Of A Piezoelectric Compound Ga3po7 Studied By The First-Principles Calculation, Zhenxiang Cheng, Xiaolin Wang
Australian Institute for Innovative Materials - Papers
The structure, electronic and optical properties of a piezoelectric material, Ga3PO7 were studied by first-principles calculations in the framework of density functional theory. The calculated structure is in agreement with the experimental data. Band structure reveals that Ga3PO7 has a band gap of 3.69 eV. Analysis of partial density of states and Mulliken charge population indicates existence of GaO5 and PO4 anion groups in Ga3PO7. Furthermore, its optical properties, including dielectric constant, absorption, reflectivity, refractive index, and electron loss were calculated and analysed, which show that Ga3 …