Study of the effect of Y doping amount on the electronic structure and absorption spectrum of ZnTe based on selective doping orientation
ZnTe has been subjected to a series of related studies by many scholars due to its unique forbidden band width,optical properties and heavy doping.There is no reported on the effects of Y doping concentration and doping method on the properties of ZnTe.The authors used the generalized gradient approximation method under the framework of density function theory to calculate the geometries,band structures,density of states dis-tributions,absorption spectra and other properties of ZnTe at doping concentrations of 1.56at％,3.12at％and 4.69at％.And the effects of different doping methods on the system was also researched.The results show that at a doping concentration of 3.12at％with different doping methods,the formation energy of the doped atoms a-long the[111]crystal orientation is the lowest,i.e.,the[111]crystal orientation is the preferred crystal orien-tation.When the doping concentration is 4.69at％,the preferred crystallographic plane is the(111)plane.To achieve a higher concentration of Y doping,doping along the(111)crystal plane is more easily achieved.For experimental purposes,higher concentration of Y doping makes it easier to concentrate the dopant atoms in the ZnTe system along the(111)crystal plane.The Y doping results in a larger forbidden band width of ZnTe,a blue shift in the absorption spectrum and a reduction in the intensity of absorption of visible light.When the con-centration is 3.12at％,the band gap width is the largest,the blue shift is the most obvious,and the absorption intensity is the smallest.The system becomes an-type semiconductor after Y doping,and P-N junction diodes can be made using this doping method.
Y-doped ZnTeDoping concentration and modeFirst principleElectronic structureOptoelec-tronic properties
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