论文标题

固体中正电子寿命的量子蒙特卡洛研究

Quantum Monte Carlo study of positron lifetimes in solids

论文作者

Simula, K. A., Muff, J. E., Makkonen, I., Drummond, N. D.

论文摘要

我们对具有前所未有的深度的固体中的正电子寿命进行了分析。我们研究了具有远距离相关性的正电子 - 电子波函数,而不是对密度函数进行建模相关效应。这为理解金属,绝缘体和半导体的正电子歼灭提供了新的见解。通过使用新的量子蒙特卡洛方法来计算正电子寿命,与实验相比,与先前的一组材料相比,获得了与先前的计算相比的精度。因此,我们提出了一种没有自由参数的方法,它是对固体中正式符号的现有方法的有用替代方法。

We present an analysis of positron lifetimes in solids with unprecedented depth. Instead of modeling correlation effects with density functionals, we study positron-electron wave functions with long-range correlations included. This gives new insight in understanding positron annihilation in metals, insulators and semiconductors. By using a new quantum Monte Carlo approach for computation of positron lifetimes, an improved accuracy compared to previous computations is obtained for a representative set of materials when compared with experiment. Thus we present a method without free parameters as a useful alternative to the already existing methods for modeling positrons in solids.

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