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| 1 | Structural, Elastic, Electronic and Optical Properties of CsMC13 ( M = Zn, Cd)显示文摘 | Hayatullah Murtaza G Khenata R | 2013 | Physica B2013，420，1： | 1 |
| 2 | Electronic Band Structure and Optical Response of Spinel SnX_(2)O_(4)(X=Mg,Zn)through Modified Becke-Johnson Potential显示文摘The modified Becke–Johnson exchange potential approximation is applied to predict the band structure,optical parameters and electron density of SnMg_(2)O_(4)and SnZn_(2)O_(4).The local density approximation,generalized gradient approximation(GGA),EV-GGA significantly underestimate the direct band gap values compared to modified Becke–Johnson approximation.The band gap dependent optical parameters such as dielectric constant,index of refraction,reflectivity,and optical conductivity are calculated and analyzed.A prominent feature of cation replacement is observed and analyzed for these studied compounds.The replacement of the cation Mg by Zn leads to a significant reduction in the value of band gap and consequently affects its dependant optical parameters.This variation is of crucial importance for device fabrication in different regions of the spectrum. | A.Manzar G.Murtaza R.Khenata S.Muhammad Hayatullah | 2013 | Chinese Physics Letters2013，30，4： | 0 |
| 3 | Electronic Band Profile and Optical Response of Spinel MgIn_(2)O_(4)through Modified Becke-Johnson Potential显示文摘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). | A.Manzar G.Murtaza R.Khenata S.Muhammad Hayatullah | 2013 | Chinese Physics Letters2013，30，6： | 0 |
| 4 | Electronic and Optical Properties of Spinel GeMg2O4 and GeCd2O4显示文摘Oxide spinels have potential applications in optoelectronics and optics fields.In this work the electronic band structure and optical properties of GeMg2O4 and GeCd2O4 are calculated by first principles technique based on the new potential approximation known as the modified Becke-Johnson exchange potential approximation(mBJ).The local density and generalized gradient approximations significantly underestimate the direct band gap values compared to the mBJ.The band gap dependent optical parameters such as dielectric constant,refractive index,reflectivity and optical conductivity are calculated and analyzed.The replacement of the cation is observed and analyzed for the compounds studied and a prominent change is noticed.The replacement of the cation Mg by Cd reduces the band gap and its dependent optical parameters.For device fabrication in different regions of the spectrum this variation is strongly recommended. | A.Manzar G.Murtaza R.Khenata S.Muhammad Hayatullah | 2013 | Chinese Physics Letters2013，30，12： | 0 |
| 5 | FirstPrincipleCalculations of the Ground and Excited State Properties of RbPbF_(3)显示文摘Structural,elastic,electronic,chemical bonding and optical properties of the cubic RbPbF 3 compound under pres-sure are studied using a highly accurate state-of-the-art full potential linearized augmented plane wave method.The exchange correlation effects are included through the generalized gradient and modified Becke–Johnson ex-change potential.The lattice constant and band gap of the cubic RbPbF 3 decreases with enhanced pressure.RbPbF 3 is brittle,elastically anisotropic,and a direct bandgap material.Its optical properties such as refractive index��(ω),extinction coefficient��(ω),reflectivity��(ω),and optical conductivity��(ω)are predicted. | Hayatullah G.Murtaza R.Khenata S.Naeem M.N.Khalid S.Mohammad | 2013 | Chinese Physics Letters2013，30，9： | 0 |
| 6 | Electronic and Optic Properties of Cubic Spinel CdX2O4 (X=In, Ga, Al) through Modified Becke-Johnson Potential显示文摘是基于密度修改了 BeckeJohnson 知道的新潜在的近似功能的理论被使用计算电子乐队侧面和 CdIn 2 O 4, CdGa 2 O 4 和 CdAl 2 O 4 混合物。有普通 LDA, GGA 和 EV-GGA 的直接乐队差距急速地与修改 BeckeJohnson 近似相比被低估,其结果离试验性的调查结果显著地更靠近。象绝缘的常数,折射索引,反射率,光传导性和吸收系数一样的光性质也被计算。与阳离子代替联系的一个唯一的特征被学习;阳离子在的代替显著地在这些混合物由由艾尔的 Ga 和 Ga 减少直接精力乐队差距。这个变化具有为乐队差距依赖者的关键重要性这些的光性质加重设备,它也是为在 optoelectronic 的这些混合物的应用的证明。 | A. Manzar G. Murtaza R. Khenata Masood Yousaf S. Muhammad Hayatullah | 2014 | Chinese Physics Letters2014，31，6： | 0 |
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