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'Local structure and magnetism of Cu-doped ZnO pellets investigated at the Cu K-edge XAS and XMCD: experiment and theory'

Autor: P. S. Vachhani, O. Sipr, R.K. Ramamoorthy, G. Dalba, F. Rocca, J. Vackar, A.K. Bhatnagar

Publikováno v: XAFS15-15th International Conference for X-ray Absorption Fine Structure, Beijing, China, 22-28/07/2012
info:cnr-pdr/source/autori:P. S. Vachhani, O. Sipr, R.K. Ramamoorthy, G. Dalba, F. Rocca, J. Vackar, A.K. Bhatnagar/congresso_nome:XAFS15-15th International Conference for X-ray Absorption Fine Structure/congresso_luogo:Beijing, China/congresso_data:22-28%2F07%2F2012/anno:2012/pagina_da:/pagina_a:/intervallo_pagine

Magnetism of w-ZnO doped by transition metal atoms is an intriguing phenomenon which evades a consistent explanation. Reliable and consistent information on the local structure and local magnetic properties around the dopant is therefore very desirab

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=cnr_________::225d8a00be4bab3d8167cd7df8b3711a
https://publications.cnr.it/doc/202529

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Modelling the valence electronic structure of the core region of an atom in a solid within a local-density approximation pseudopotential framework: reintroduction of the full nodal form

Autor: J Vackar, A Simunek

Publikováno v: Journal of Physics: Condensed Matter. 6:3025-3030

A method for calculating all-electron wavefunctions within the pseudopotential framework is presented. The phase-shift technique is used to construct valence wavefunctions with the proper node structure in a core region, matching the self-consistent

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0cf10affd0f09820dd72dc37d14ab346
https://doi.org/10.1088/0953-8984/6/16/007

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Local s, p and d charge distributions and X-ray emission bands of SiO2: alpha -quartz and stishovite

Autor: G Wiech, A Simunek, J Vackar

Publikováno v: Journal of Physics: Condensed Matter. 5:867-874

An experimental and theoretical study of the electronic structure and the X-ray Si K and Si L emission bands of 4:2-coordinated alpha -quartz and 6:3-coordinated stishovite is presented. The nature of atomic states participating in the X-ray valence

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::b4ada061e7cfaf6e371b80cb66257ccc
https://doi.org/10.1088/0953-8984/5/7/013

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Sensitivity of XANES spectra to local coordination of Zn in ZnO nanocrystals: theoretical modelling

Autor: O. Sipr, F. Rocca, J. Vackar

Publikováno v: NCM-11, International conference on the Structure of Non-Crystalline Materials, Paris, France, 27 June-2 July, 2010, Paris (France), 2010
info:cnr-pdr/source/autori:O. Sipr, F. Rocca, J. Vackar/congresso_nome:NCM-11, International conference on the Structure of Non-Crystalline Materials, Paris, France, 27 June-2 July, 2010/congresso_luogo:Paris (France)/congresso_data:2010/anno:2010/pagina_da:/pagina_a:/intervallo_pagine

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=cnr_________::48edf1676613c0c0d1228c60fe6a19e6
https://publications.cnr.it/doc/109495

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