Is p-Type Doping in SeO_(2) Feasible?  

作　　者：Zewen Xiao 肖泽文(Wuhan National Laboratory for Optoelectronics,Huazhong University of Science and Technology,Wuhan 430074,China)

机构地区：[1]Wuhan National Laboratory for Optoelectronics,Huazhong University of Science and Technology,Wuhan 430074,China

出　　处：《Chinese Physics Letters》2025年第2期72-77,共6页中国物理快报(英文版)

基　　金：financially supported by the National Natural Science Foundation of China(Grant No.52372150)。

摘　　要：p-type transparent oxide semiconductors(TOSs)are significant in the semiconductor industry,driving advancements in optoelectronic technologies for transparent electronic devices with unique properties.The recent discovery of p-type behavior in SeO_(2) has stimulated interest and confusion in the scientific community.In this Letter,we employ density functional theory calculations to reveal the intrinsic intrinsic insulating characteristics of SeO_(2) and highlight the substantial challenges in carrier doping.Our electronic structure analyses indicate that the Se 5^(2) states are energetically positioned too low to effectively interact with the O 2p orbitals,resulting in a valence band maximum(VBM)primarily dominated by the O 2p orbitals.The deep and localized nature of the VBM of SeO_(2) limits its potential as a high-mobility p-type TOS.Defect calculations demonstrate that all intrinsic defects in SeO_(2) exhibit deep transition levels within the bandgap.Regardless of the synthesis conditions,the Fermi level consistently resides in the mid-gap region.Furthermore,deep intrinsic acceptors and donors exhibit negative formation energies in the n-type and p-type regions,respectively,facilitating spontaneous formation and impeding external doping efforts.Thus,the reported p-type conductivity in SeO_(2) samples is unlikely to be intrinsic and is more plausibly attributable to reduced elemental Se,a well-known p-type semiconductor.

关 键 词：DOPING TRANSPARENT driving 

分 类 号：TN3[电子电信—物理电子学]