Doping in the two-dimensional limit: p/n-type defects in monolayer ZnO

doi:10.1103/PhysRevB.105.024104

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	Doping in the two-dimensional limit: p/n-type defects in monolayer ZnO
	D. Han; X. B. Li; D. Wang; N. K. Chen and X. W. Fan
	2022
发表期刊	Physical Review B
ISSN	2469-9950
卷号	105 期号:2 页码:7
摘要	The thickness limit is utilized to investigate the doping physics in ZnO, i.e., monolayer (ML) ZnO. First-principles study demonstrates that the p/n-type defects in ML ZnO still have doping asymmetry. Among the doping defect models widely studied in bulk ZnO, Li-Zn and Ga-Zn with ionization energies of 0.86 and 0.82 eV are the optimal p- and n-type doping defects in ML ZnO, respectively. Their ionization energies are comparable with those of relatively shallow defects in other ML semiconductors. However, the Li-Zn acceptor faces a severe issue in that Li-Zn is the metastable structure and will transform into the most stable Jahn-Teller-distorted structure (Li-Zn(JT)) with increasing its ionization energy to 1.53 eV. Furthermore, our scanning tunneling microscopy simulations show even a little structural distortion of the doping defects can be easily detected with the appropriate positive bias voltage on a sample of ML ZnO. The present study reveals the p/n-type defects' properties in ML ZnO and offers a way to understand and directly identify defect behaviors in wide-band-gap semiconductors in their two-dimensional limit form.
DOI	10.1103/PhysRevB.105.024104
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收录类别	sci ; ei
语种	英语
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文献类型	期刊论文
条目标识符	http://ir.ciomp.ac.cn/handle/181722/66573
专题	中国科学院长春光学精密机械与物理研究所
推荐引用方式 GB/T 7714	D. Han,X. B. Li,D. Wang,et al. Doping in the two-dimensional limit: p/n-type defects in monolayer ZnO[J]. Physical Review B,2022,105(2):7.
APA	D. Han,X. B. Li,D. Wang,&N. K. Chen and X. W. Fan.(2022).Doping in the two-dimensional limit: p/n-type defects in monolayer ZnO.Physical Review B,105(2),7.
MLA	D. Han,et al."Doping in the two-dimensional limit: p/n-type defects in monolayer ZnO".Physical Review B 105.2(2022):7.

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