Defect identification in semiconductors with positron annihilation:<? format?> Experiment and theory
F Tuomisto, I Makkonen - Reviews of Modern Physics, 2013 - APS
Positron annihilation spectroscopy is particularly suitable for studying vacancy-type
defects<? format?> in semiconductors. Combining state-of-the-art experimental and …
defects<? format?> in semiconductors. Combining state-of-the-art experimental and …
Quantum Monte Carlo study of a positron in an electron gas
Quantum Monte Carlo calculations of the relaxation energy, pair-correlation function, and
annihilating-pair momentum density are presented for a positron immersed in a …
annihilating-pair momentum density are presented for a positron immersed in a …
Quantum Monte Carlo study of positron lifetimes in solids
KA Simula, JE Muff, I Makkonen, ND Drummond - Physical Review Letters, 2022 - APS
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 …
modeling correlation effects with density functionals, we study positron-electron wave …
Multicomponent wavefunction-in-DFT embedding for positronium molecules
This work presents an extension of the projector operator embedding scheme of Manby et
al.[J. Chem. Theory Comput. 8, 2564 (2012)] in a multicomponent (MC) framework. Here, a …
al.[J. Chem. Theory Comput. 8, 2564 (2012)] in a multicomponent (MC) framework. Here, a …
Positron-electron correlation-polarization potentials for the calculation of positron collisions with atoms and molecules
J Franz - The European Physical Journal D, 2017 - Springer
We present correlation-polarization potentials for the calculation of scattering cross sections
of positrons with atoms and molecules. The potentials are constructed from a short-range …
of positrons with atoms and molecules. The potentials are constructed from a short-range …
Low Energy Positron Scattering by F and F2
W Tenfen, J de Souza Glória… - The Journal of Physical …, 2022 - ACS Publications
We have determined integral and differential elastic cross sections for positron scattering
with atomic F and F2 molecules from 0.01 to 1000 eV with different theoretical approaches …
with atomic F and F2 molecules from 0.01 to 1000 eV with different theoretical approaches …
Local electron correlation effects on the fermiology of the weak itinerant ferromagnet ZrZn2
W Chen, ADN James, SB Dugdale - Electronic Structure, 2022 - iopscience.iop.org
The Fermi surface topology plays an important role in the macroscopic properties of metals.
It can be particularly sensitive to electron correlation, which appears to be especially …
It can be particularly sensitive to electron correlation, which appears to be especially …
Quantum Monte Carlo study of correlation energy and pair correlation function at various electron-positron density ratios: Accurate calculation of positron annihilation …
Y Dong, L Deng, YH Li, M Luo, JD Liu, HJ Zhang… - Physical Review B, 2024 - APS
Positron annihilation lifetime spectroscopy is a unique technique to probe the defect
structure of crystalline solids. To distinguish different defect states, accurate calculation of …
structure of crystalline solids. To distinguish different defect states, accurate calculation of …
Trion formation in a two-dimensional hole-doped electron gas
GG Spink, P López Ríos, ND Drummond, RJ Needs - Physical Review B, 2016 - APS
The interaction between a single hole and a two-dimensional, paramagnetic, homogeneous
electron gas is studied using diffusion quantum Monte Carlo simulations. Electron-hole …
electron gas is studied using diffusion quantum Monte Carlo simulations. Electron-hole …
Application of the weighted-density approximation to the accurate description of electron-positron correlation effects in materials
We discuss positron-annihilation lifetimes for a set of illustrative bulk materials within the
framework of the weighted-density approximation (WDA). The WDA can correctly describe …
framework of the weighted-density approximation (WDA). The WDA can correctly describe …