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Related papers: Complex diffusion mechanism of Zn in InP

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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…

Condensed Matter · Physics 2009-11-10 C. W. M. Castleton , S. Mirbt

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…

Applied Physics · Physics 2020-12-29 Manuel Hinojosa , Iván García , Shabnam Dadgostar , Carlos Algora

Zinc-diffusion can induce multiple failures in the electrical performance of a multijunction solar cell. In this work, we show an important Zn-diffusion from the AlGaInP back-surface-field layer to the emitter of the GaInP top cell of an…

Materials Science · Physics 2022-05-17 Manuel Hinojosa , Ivan Garcia , Ignacio Rey-Stolle , Carlos Algora

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…

Materials Science · Physics 2018-04-04 Y. K. Frodason , K. M. Johansen , T. S. Bjørheim , B. G. Svensson , A. Alkauskas

This study investigates the ground-state energetics and thermodynamics of intrinsic point defects in zinc phosphide Zn$_3$P$_2$ using \emph{ab initio} density functional theory combined with an extensive potential energy landscape search.…

Materials Science · Physics 2026-05-25 Nico Kawashima , Silvana Botti

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…

Materials Science · Physics 2015-05-13 Ren-Yu Tian , Yu-Jun Zhao

Zinc Phosphide ($Zn_3P_2$) could be the basis for cheap and highly efficient solar cells. Its use in this regard is limited by the difficulty in n-type doping the material. In an effort to understand the mechanism behind this, the…

Materials Science · Physics 2012-03-06 Steven Demers , Axel van de Walle

By studying Fe-doped ZnO pellets and thin films with various x-ray spectroscopic techniques, and complementing this with density functional theory calculations, we find that Fe-doping in bulk ZnO induces isovalent (and isostructural) cation…

Zinc phosphide (Zn3P2) has had a long history of scientific interest largely because of its potential for earth-abundant photovoltaics. To realize high-efficiency Zn3P2 solar cells, it is critical to understand and control point defects in…

Materials Science · Physics 2023-11-01 Zhenkun Yuan , Yihuang Xiong , Geoffroy Hautier

Identification of complex defect has been a long-sought-after physics problem for controlling the defect population and engineering the useful properties in wide bandgap oxide semiconductors. Here we report a systematic study of (GaZn-VZn)-…

Doped heavy metal-free III-V semiconductor nanocrystal quantum dots are of great interest both from the fundamental aspects of doping in highly confined structures, and from the applicative side of utilizing such building blocks in the…

Mesoscale and Nanoscale Physics · Physics 2023-06-27 Lior Asor , Jing Liu , Shuting Xiang , Nir Tessler , Anatoly I. Frenkel , Uri Banin

We demonstrate heavy and hyper doping of ZnO by a combination of gallium (Ga) ion implantation using a focused ion beam (FIB) system and post-implantation laser annealing. Ion implantation allows for the incorporation of impurities with…

Impurity diffusion in Zr is potentially important for many applications of Zr alloys, and in particular for their use of nuclear reactor cladding. However, significant uncertainty presently exists about which elements are vacancy vs.…

Materials Science · Physics 2018-05-14 Hai-Jin Lu , Henry Wu , Nan Zou , Xiao-Gang Lu , Yan-Lin He , Dane Morgan

We have investigated the effect of Zn substitution on the hole content, p, and the oxygen deficiency, d, for a series of high-quality crystalline c-axis oriented thin films and polycrystalline Y1-xCaxBa2(Cu1-yZny)3O7-delta compounds over a…

Superconductivity · Physics 2009-11-11 S. H. Naqib

We study the interplay of quantum impurity, and collective spinon and holon dynamics in Zn doped high-T$_c$ cuprates in the normal state. The two-dimensional t-t$^{\prime}$-J models with one and a small amount of Zn impurity are…

Superconductivity · Physics 2009-11-10 Yun Song

The electronic structure of ZnPc, from sub-monolayers to thick films, on bare and iodated Pt(111) is studied by means of X-ray photoelectron spectroscopy (XPS), X-ray absorption spectroscopy (XAS) and scanning tunneling microscopy (STM).…

Materials Science · Physics 2014-05-01 S. Ahmadi , B. Agnarsson , I. Bidermane , B. M. Wojek , Q. Noël , C. H. Sun , M. Göthelid

Cr-doped ZnO films were fabricated by a new but feasible method, that is, annealing Cr-Zn layers deposited via DC magnetron sputtering in air. Microstructures of the films were investigated using X-ray diffraction, scanning electron…

Materials Science · Physics 2025-08-19 Men Guo , Gilad Orr , Paul Ben Ishai , Xia Zhao , Shlomo Glasser

We present a theoretical study of the impact of oxygen diffusion in oxide crystals on metal dopants ionic state and the conduction type under thermal equilibrium. Oxygen vacancy formation acting as a shallow, double-electronic donor is…

Materials Science · Physics 2018-06-06 Misha Sinder , Zeev Burshtein , Joshua Pelleg

Optical properties of ZnMnO layers grown at low temperature by Atomic Layer Deposition and Metalorganic Vapor Phase Epitaxy are discussed and compared to results obtained for ZnMnS samples. Present results suggest a double valence of Mn…

The effect of non-magnetic Zn impurity on superconductivity in LaFe$_{1-y}$Zn$_y$AsO$_{1-x}$F$_x$ system is studied systematically. In the presence of Zn impurity, the superconducting transition temperature increases in the under-doped…

Superconductivity · Physics 2010-08-09 Yuke Li , Jun Tong , Qian Tao , Chunmu Feng , Guanghan Cao , Zhu-an Xu , Weiqiang Chen , Fu-Chun Zhang
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