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 spektroskopijas laboratorija, Cietvielu fizikas institūts

University of Latvia

Zinātniskās darbības rezultāts: Devums žurnālam › Zinātniskais raksts (žurnālā) › koleģiāli recenzēts

14 Atsauces (Scopus)

Kopsavilkums

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.

Oriģinālvaloda	Angļu
Raksta numurs	054003
Žurnāls	Physica Scripta
Sējums	91
Izdevuma numurs	5
DOIs	https://doi.org/10.1088/0031-8949/91/5/054003
Publikācijas statuss	Publicēts - 19 apr. 2016

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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 = "EXAFS, copper nitride, evolutionary algorithm, 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 - EXAFS

KW - copper nitride

KW - evolutionary algorithm

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

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