MODELING OF POSITRON STATES AND ANNIHILATION IN SOLIDS

机译：固体中正电子态的建模与AN灭

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Theoretical models and computational aspects to describe positron states and to predict positron annihilation characteristics in solids are discussed. The comparison of the calculated positron lifetimes, core annihilation lineshapes, and two-dimensional angular correlation maps with experimental results are used in identifying the structure (including the chemical composition) of vacancy-type defects and their development e.g. during thermal annealing. The basis of the modeling is the two-component density-functional theory. The ensuing approximations and the state-of-the-art electronic-structure computation methods enable practical schemes with a quantitative predicting power.

机译：讨论了描述正电子状态和预测固体中正电子an灭特性的理论模型和计算方面。将计算出的正电子寿命，核心core灭线形和二维角度相关图与实验结果进行比较，可用于识别空位型缺陷的结构（包括化学成分）及其发展，例如在热退火过程中。建模的基础是两组分密度泛函理论。随之而来的近似值和最新的电子结构计算方法使具有定量预测能力的实用方案成为可能。

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《The 3rd International Symposium on Material Chemistry in Nuclear Environment (Material Chemistry '02 MC'02) Mar 13-15, 2002 Tsukuba》|2002年|p.102-113|共12页
会议地点 Tsukuba(JP);Tsukuba(JP);Tsukuba(JP)
作者
M. J. Puska;
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作者单位

Laboratory of Physics, Helsinki University of Technology P.O. Box 1100, 02015 HUT, Finland;

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会议组织
原文格式 PDF
正文语种 eng
中图分类原子能技术;
关键词
positron annihilation; density-functional theory; defects in solids;

机译：正电子an没;密度泛函理论;固体缺陷;

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专利

1. Modeling the momentum distributions of annihilating electron-positron pairs in solids [J] . I. Makkonen, M. Hakala, M. J. Puska Physical review. B, Condensed Matter And Materials Physics . 2006,第3期

机译：模拟an灭电子-正电子对的动量分布
2. Positron annihilation lifetime study of atomic imperfections in nanostructurized solids: On the parameterized trapping in wet-milled arsenic sulfides As4S4 [J] . Shpotyuk Oleh, Ingram Adam, Filipecki Jacek, Physica status solidi, B. Basic research . 2016,第6期

机译：纳米结构化固体中原子缺陷的正电子an没寿命研究：关于湿磨硫化砷As4S4的参数化捕集
3. Critical parameters of positron and positronium annihilation in grainy and porous solids: Ionic crystals and zeolites [J] . Zs. Kajcsos, L. Liszkay, G. Duplatre, Physica status solidi . 2009,第11期

机译：粒状和多孔固体中正电子和正电子an灭的关键参数：离子晶体和沸石
4. Effect of Positron Wave Function on Positron Annihilation Rates and Electron-Positron Momentum Densities in Solids [C] . Z, W.M. Temmerman, Z. Szotek, International conference on positron annihilation . 2001

机译：正电子波函数对固态湮没速率和电子正电子动力密度的影响
5. Can positron-annihilation-induced auger electron spectroscopy (PAES) be used to clarify the choice of starting point in positron surface state models? [D] . Tyan, Lee-Wen. 1992

机译：可以使用正电子an灭诱导的俄歇电子能谱（PAES）来阐明正电子表面状态模型中起点的选择吗？
6. Open Porosity and Pore Size Distribution of Mesoporous Silica Films Investigated by Positron Annihilation Lifetime Spectroscopy and Ellipsometric Porosimetry [O] . Bangyun Xiong, Jingjing Li, Chunqing He, 2021

机译：通过正电子湮没寿命光谱和椭圆仪孔隙测定研究的开放孔隙率和孔径分布的介孔二氧化硅膜
7. Modeling the momentum distributions of annihilating electron-positron pairs in solids [O] . Makkonen I., Hakala M., Puska Martti J. 2006

机译：模拟an灭电子-正电子对的动量分布
8. Development and Optimization of a Positron Annihilation Lifetime Spectrometer to Measure Nanoscale Defects in Solids and Borane Cage Molecules in Aqueous Nitrate Solutions; Master's thesis [R] . Ross, M. A. 2008

机译：正电子湮没寿命谱仪的研制与优化，用于测定硝酸盐水溶液中固体和硼烷笼分子的纳米级缺陷;硕士论文

MODELING OF POSITRON STATES AND ANNIHILATION IN SOLIDS

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