Electronic Band Structure and Optical Parameters of Spinel SnMg_(2)O_(4) by Modified Becke–Johnson Potential

作     者：Masood Yousaf M.A.Saeed Ahmad Radzi Mat Isa Amiruddin Shaari H.A.Rahnamaye Aliabad 

作者机构：Physics DepartmentFaculty of ScienceUniversiti Teknologi MalaysiaSkudai-81310JohorMalaysia Department of PhysicsHakim Sabzevari UniversityIran 

出 版 物：《Chinese Physics Letters》 (中国物理快报（英文版）)

年 卷 期：2012年第29卷第10期

页      面：193-197页

核心收录：

学科分类：080901[工学-物理电子学] 0809[工学-电子科学与技术（可授工学、理学学位）] 08[工学] 080401[工学-精密仪器及机械] 0804[工学-仪器科学与技术] 0805[工学-材料科学与工程（可授工学、理学学位）] 0704[理学-天文学] 0803[工学-光学工程] 

基　　金：Supported by the Fund for Foreign Academic Visitors of Universiti Teknologi Malaysia(UTM)Skudai Johor Malaysia under Grant No JI3000077264D035 

主　　题：absorption reflectivity dielectric 

摘      要：The electronic band structure and optical parameters of SnMg_(2)O_(4) are investigated by the first-principles technique based on a new potential approximation known as modified Becke–Johnson(mBJ).The direct band gap values by LDA,GGA and EV-GGA are underestimated significantly as compared to mBJ-GGA,which generally provides the results comparable to the experimental ***,the present band gap value(4.85 eV)using mBJ-GGA is greatly enhanced to the previous value by EV-GGA(2.823 eV).The optical parametric quantities(dielectric constant,index of refraction,reflectivity,optical conductivity and absorption coefficient)relying on the band structure are presented and *** first critical point(optical absorption s edge)in SnMg_(2)O_(4) occurs at about 4.85 eV.A strong absorption region is observed,extending between 5.4 eV to 25.0 *** SnMg_(2)O_(4),static dielectric constantε1(0),static refractive index n(0),and the magnitude of the coefficient of reflectivity at zero frequency R(0)are 2.296,1.515 and 0.0419,*** optoelectronic properties indicate that this material can be successfully used in optical devices.