Electronic Band Profile and Optical Response of Spinel MgIn_(2)O_(4)through Modified Becke-Johnson Potential  

作　　者：A.Manzar G.Murtaza R.Khenata S.Muhammad Hayatullah 

机构地区：[1]Department of Physics,Hazara University Mansehra,KPK,Pakistan [2]Materials Modeling Lab,Department of Physics,Islamia College University,Peshawar,Pakistan [3]LPQ3M Laboratory,Institute of Science and Technology,University of Mascara,Algeria [4]Department of Physics and Astronomy,King Saud University,P.O.Box 2455,Riyadh 11451,Saudi Arabia

出　　处：《Chinese Physics Letters》2013年第6期190-193,共4页中国物理快报（英文版）

基　　金：Supported by the Deanship of Scientific Research at King Saud University under Grant No RPG-VPP-088.

摘　　要：We employ the first-principles technique based on the modified Becke–Johnson(BJ)exchange potential for the prediction of the electronic band structure,optical properties,and electron density of the cubic MgIn_(2)O_(4)spinel compound.It is found that the calculated band gap value with the modified BJ approximation is significantly improved over the results based on the generalized gradient approximation and the local density approximation in comparison to the experimental data.The band gap dependent optical parameters such as the dielectric constant,refractive index,reflectivity,optical conductivity,and electron density are predicted.The optical response suggests that MgIn_(2)O_(4)is an applicant material in optoelectronic devices in various parts of the energy spectrum like MgAl_(2)O_(4)and MgGa_(2)O_(4).

关 键 词：APPROXIMATION MODIFIED REFLECTIVITY 

分 类 号：TG1[金属学及工艺—金属学]