Combining state-of-the-art experiment and ab initio calculations for a better understanding of the interplay between valence, magnetism and structure in Eu compounds at high pressure

Autor(es)

Souza-Neto, N. M. ; Haskel, D. ; dos Reis, R. D. ; Gandra, F. C. G.

• Tipo de documento: Artigo Científico
• Fonte: HIGH PRESSURE RESEARCH; v. 36, n. 3, SI, p. 360-370, SEP 2016.
• Citações Web of Science: 1

Resumo

We describe how first principle calculations can play a key role in the interpretation of X-ray absorption near-edge structure (XANES) and X-ray magnetic circular dichroism (XMCD) spectra for a better understanding of emergent phenomena in condensed matter physics at high applied pressure. Eu compounds are used as case study to illustrate the advantages of this methodology, ranging from studies of electronic charge transfer probed by quadrupolar and dipolar contributions, to accurately determining electronic valence, and to inform about the influence of pressure on RKKY interactions and magnetism. This description should help advance studies where the pressure dependence of XANES and XMCD data must be tackled with the support of theoretical calculations for a proper understanding of the electronic properties of materials. (AU)

• Processo FAPESP: 14/05480-3 - EMU concedido no processo 2013/22436-5: instalação para experimentos em altas pressões
• Beneficiário: Narcizo Marques de Souza Neto
• Linha de fomento: Auxílio à Pesquisa - Programa Equipamentos Multiusuários
• Processo FAPESP: 13/22436-5 - Técnicas de Luz Síncrotron sob condições extremas
• Beneficiário: Narcizo Marques de Souza Neto
• Linha de fomento: Auxílio à Pesquisa - Apoio a Jovens Pesquisadores