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相关论文: GaZn-VZn acceptor complex defect in Ga-doped ZnO

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Point defects in Ga- and Al-doped ZnO thin films are studied by means of first principles electronic structure calculations. Candidate defects are identified to explain recently observed differences in electrical and spectroscopical…

材料科学 · 物理学 2016-10-06 E. Menéndez-Proupin , P. Palacios , P. Wahnón

First-principles calculations based on density functional theory have been carried out to understand the mechanism of fabricating As-doped p-type ZnO semiconductors. It has been confirmed that AsZn-2VZn complex is the most plausible…

材料科学 · 物理学 2013-05-20 Chol-Jun Yu , Yong-Guk Choe , Son-Guk Ri , Myong-Il Kim , Song-Jin Im

Due to its wide band gap and high carrier mobility, ZnO is an attractive material for light-harvesting and optoelectronic applications. Its functional efficiency, however, is strongly affected by defect-related in-gap states that open up…

Extreme lattice-mismatched III-V nitrides, such as Bi-incorporated GaN, have been realized experimentally thanks to recent advances in epitaxial growth and characterization techniques. However, theoretical insights into defect-related…

材料科学 · 物理学 2025-07-03 Yujie Liu , Ishtiaque Ahmed Navid , Zetian Mi , Emmanouil Kioupakis

The semiconducting behaviour and optoelectronic response of gallium nitride is governed by point defect processes, which, despite many years of research, remain poorly understood. The key difficulty in the description of the dominant…

Activation of shallow acceptor state has been observed in ion irradiated and subsequently air annealed polycrystalline ZnO material. Low temperature photoluminescence (PL) spectrum of the sample exhibits clear signature of acceptor bound…

材料科学 · 物理学 2016-04-28 S. Pal , D. Jana , T. Rakshit , S. S. Singha , K. Asokan , S. Dutta , A. Sarkar

P mono-doped and (P, N) co-doped ZnO are investigated by the first-principles calculations. It is found that substitutive P defect forms a deep acceptor level at O site (PO) and it behaves as a donor at Zn site (PZn), while interstitial P…

材料科学 · 物理学 2015-05-13 Ren-Yu Tian , Yu-Jun Zhao

Results from hybrid density functional theory calculations on the thermodynamic stability and optical properties of the Zn vacancy ($V_{\text{Zn}}$) complexed with common donor impurities in ZnO are reported. Complexing $V_{\text{Zn}}$ with…

材料科学 · 物理学 2018-04-04 Y. K. Frodason , K. M. Johansen , T. S. Bjørheim , B. G. Svensson , A. Alkauskas

Heterostructures comprising uncoated ZnO and coated with thin layers of Ga$_2$O$_3$ were produced using spin-coating and subsequent hydrothermal processing. X-ray diffraction examination verifies the structural integrity of the synthesized…

材料科学 · 物理学 2025-06-25 Shashi Pandey , Swaroop Ganguly , Alok Shukla , Anurag Tripathi

Zn in GaN forms an efficient radiative center and acts as a deep acceptor which can make the crystal insulating. Four different Zn-related centers have been by now identified, leading to light emission in the range between 1.8 eV and 2.9…

材料科学 · 物理学 2016-08-31 Fabio Bernardini , Vincenzo Fiorentini , R. M. Nieminen

We study the structure, the formation and binding energies and the transfer levels of the zinc-phosphorus vacancy complex [Zn_In - V_P] in Zn doped p-type InP, as a function of the charge, using plane wave ab initio DFT-LDA calculations in…

凝聚态物理 · 物理学 2009-11-10 C. W. M. Castleton , S. Mirbt

The controlled modification of the electronic properties of ZnO nanorods via transition metal doping is reported. A series of ZnO nanorods were synthesized by chemical bath growth with varying Co content from 0 to 20 atomic % in the growth…

Zinc Oxide (ZnO) semiconductor is ideal candidates for ultra-violet (UV) photodetector due to its promising optoelectronic properties. Photodetectors based on ZnO nanostructures show very high photoconductivity under UV light, but they are…

材料科学 · 物理学 2019-12-02 Mehmet Ozdogan , Gokhan Utlu , Cem Celebi

Electroluminescence properties of epitaxially grown n-ZnO/p-GaN pn-heterojunctions are investigated as functions of applied bias and temperature. The study reveals the existence of indirect interfacial excitons at sufficiently low…

材料科学 · 物理学 2023-08-14 Simran Arora , Subhabrata Dhar

Native and hydrogen-plasma induced shallow traps in hydrothermally grown ZnO crystals have been investigated by charge-based deep level transient spectroscopy (Q-DLTS), photoluminescence and cathodoluminescence microanalysis. The as-grown…

We investigate the dynamics of Zn diffusion in MOVPE-grown AlGaInP/GaInP systems by the comparison of different structures that emulate the back-surface field (BSF) and base layers of a GaInP subcell integrated into an inverted…

应用物理 · 物理学 2020-12-29 Manuel Hinojosa , Iván García , Shabnam Dadgostar , Carlos Algora

We present results of magneto-optical measurements and theoretical analysis of shallow bound exciton complexes in bulk ZnO. Polarization and angular dependencies of magneto-photoluminescence spectra at 5 T suggest that the upper valence…

Preparation of solid solutions represents an effective means to improve the photocatalytic properties of semiconductor-based materials. Nevertheless, the effects of site-occupancy disorder on the mixing stability and electronic properties…

材料科学 · 物理学 2018-12-11 Joel Shenoy , Judy N. Hart , Ricardo Grau-Crespo , Neil L. Allan , Claudio Cazorla

By means of first-principles calculations within the density functional theory, we study the structural and optical properties of codoped ZnO nanowires and compare them with those of the bulk and film. It is disclosed that the low…

介观与纳米尺度物理 · 物理学 2012-02-27 Zhuo Xu , Qing-Rong Zheng , Gang Su

Erbium (Er) doped GaN has been studied extensively for optoelectronic applications, yet its defect physics is still not well understood. In this work, we report a first-principles hybrid density functional study of the structure,…

材料科学 · 物理学 2017-10-30 Khang Hoang
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