Local structure of copper nitride revealed by EXAFS spectroscopy and a reverse Monte Carlo/evolutionary algorithm approach

Janis Timoshenko; Andris Anspoks; Aleksandr Kalinko; Alexei Kuzmin

doi:10.1088/0031-8949/91/5/054003

Local structure of copper nitride revealed by EXAFS spectroscopy and a reverse Monte Carlo/evolutionary algorithm approach

EXAFS Spectroscopy Laboratory, Institute of Solid State Physics

University of Latvia

Research output: Contribution to journal › Article › peer-review

14 Citations (Scopus)

Abstract

Extended x-ray absorption fine structure (EXAFS) spectroscopy combined with reverse Monte Carlo (RMC) and evolutionary algorithm (EA) modelling is used to advance the understanding of the local structure and lattice dynamics of copper nitride (Cu₃N). The RMC/EA-EXAFS method provides a possibility to probe correlations in the motion of neighboring atoms and allows us to analyze the influence of anisotropic motion of copper atoms in Cu₃N.

Original language	English
Article number	054003
Journal	Physica Scripta
Volume	91
Issue number	5
DOIs	https://doi.org/10.1088/0031-8949/91/5/054003
Publication status	Published - 19 Apr 2016

Keywords

copper nitride
evolutionary algorithm
EXAFS
reverse Monte Carlo

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10.1088/0031-8949/91/5/054003

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abstract = "Extended x-ray absorption fine structure (EXAFS) spectroscopy combined with reverse Monte Carlo (RMC) and evolutionary algorithm (EA) modelling is used to advance the understanding of the local structure and lattice dynamics of copper nitride (Cu3N). The RMC/EA-EXAFS method provides a possibility to probe correlations in the motion of neighboring atoms and allows us to analyze the influence of anisotropic motion of copper atoms in Cu3N.",

keywords = "copper nitride, evolutionary algorithm, EXAFS, reverse Monte Carlo",

author = "Janis Timoshenko and Andris Anspoks and Aleksandr Kalinko and Alexei Kuzmin",

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AU - Timoshenko, Janis

AU - Anspoks, Andris

AU - Kalinko, Aleksandr

AU - Kuzmin, Alexei

PY - 2016/4/19

Y1 - 2016/4/19

N2 - Extended x-ray absorption fine structure (EXAFS) spectroscopy combined with reverse Monte Carlo (RMC) and evolutionary algorithm (EA) modelling is used to advance the understanding of the local structure and lattice dynamics of copper nitride (Cu3N). The RMC/EA-EXAFS method provides a possibility to probe correlations in the motion of neighboring atoms and allows us to analyze the influence of anisotropic motion of copper atoms in Cu3N.

AB - Extended x-ray absorption fine structure (EXAFS) spectroscopy combined with reverse Monte Carlo (RMC) and evolutionary algorithm (EA) modelling is used to advance the understanding of the local structure and lattice dynamics of copper nitride (Cu3N). The RMC/EA-EXAFS method provides a possibility to probe correlations in the motion of neighboring atoms and allows us to analyze the influence of anisotropic motion of copper atoms in Cu3N.

KW - copper nitride

KW - evolutionary algorithm

KW - EXAFS

KW - reverse Monte Carlo

UR - https://www.scopus.com/pages/publications/84969964440

U2 - 10.1088/0031-8949/91/5/054003

DO - 10.1088/0031-8949/91/5/054003

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ER -

Local structure of copper nitride revealed by EXAFS spectroscopy and a reverse Monte Carlo/evolutionary algorithm approach

Abstract

Keywords

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