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

作　　者：Zewen Xiao Chen Qiu Su-Huai Wei Hideo Hosono 肖泽文;邱晨;魏苏淮;细野秀雄(Wuhan National Laboratory for Optoelectronics,Huazhong University of Science and Technology,Wuhan 430074,China;Eastern Institute of Technology,Ningbo 315200,China;MDX Research Center for Element Strategy,International Research Frontiers Initiative,Institute of Science Tokyo,Yokohama 226-8501,Japan)

机构地区：[1]Wuhan National Laboratory for Optoelectronics,Huazhong University of Science and Technology,Wuhan 430074,China [2]Eastern Institute of Technology,Ningbo 315200,China [3]MDX Research Center for Element Strategy,International Research Frontiers Initiative,Institute of Science Tokyo,Yokohama 226-8501,Japan

出　　处：《Chinese Physics Letters》2025年第1期114-122,共9页中国物理快报(英文版)

基　　金：supported by the National Natural Science Foundation of China(Grant Nos.52372150,12088101,and 11991060);the National Key R&D Program of China(Grant No.2022YFB4200305)。

摘　　要：Wide-bandgap two-dimensional (2D) β-TeO_(2) has been reported as a high-mobility p-type transparent semiconductor [Nat. Electron. 4 277 (2021)], attracting significant attention. This "breakthrough" not only challenges the conventional characterization of TeO_(2) as an insulator but also conflicts with the anticipated difficulty in hole doping of TeO_(2) by established chemical trends. Notably, the reported Fermi level of 0.9 eV above the valence band maximum actually suggests that the material is an insulator, contradicting the high hole density obtained by Hall effect measurement. Furthermore, the detected residual Se and the possible reduced elemental Te in the 2D β-TeO_(2) samples introduces complexity, considering that elemental Se, Te, and Te_(1−x)Se_(x) themselves are high-mobility p-type semiconductors. Therefore, doubts regarding the true cause of the p-type conductivity observed in the 2D β-TeO_(2) samples arise. In this Letter, we employ density functional theory calculations to illustrate that TeO_(2), whether in its bulk forms of α-, β-, or γ-TeO_(2), or in the 2D β-TeO_(2) nanosheets, inherently exhibits insulating properties and poses challenges in carrier doping due to its shallow conduction band minimum and deep valence band maximum. Our findings shed light on the insulating properties and doping difficulty of TeO_(2), contrasting with the claimed p-type conductivity in the 2D β-TeO_(2) samples, prompting inquiries into the true origin of the p-type conductivity.

关 键 词：DOPING BREAKTHROUGH attracting 

分 类 号：O471[理学—半导体物理]