| Full text | |
| Author(s): Show less - |
de Figueiredo, A. G.
[1]
;
Cantarino, M. R.
[1]
;
Neto, W. R. da Silva
[1, 2]
;
Pakuszewski, K. R.
[3]
;
Grossi, R.
[3]
;
Christovam, D. S.
[3, 4]
;
Souza, J. C.
[3]
;
Piva, M. M.
[3, 4]
;
Freitas, G. S.
[3]
;
Pagliuso, P. G.
[3]
;
Adriano, C.
[3]
;
Garcia, F. A.
[1]
Total Authors: 12
|
| Affiliation: | [1] Univ Sao Paulo, Inst Fis, BR-05508090 Sao Paulo, SP - Brazil
[2] Univ Sao Paulo, Inst Quim, BR-05508090 Sao Paulo, SP - Brazil
[3] Univ Estadual Campinas, Inst Fis Gleb Wataghin, BR-13083859 Campinas, SP - Brazil
[4] Max Planck Inst Chem Phys Solids, Nothnitzer Str 40, D-01187 Dresden - Germany
Total Affiliations: 4
|
| Document type: | Journal article |
| Source: | Physical Review B; v. 105, n. 4 JAN 21 2022. |
| Web of Science Citations: | 0 |
| Abstract | |
The polarization dependence of the near edge x-ray absorption spectroscopy (XANES) is an element specific probe to the real-space distribution of the density of unoccupied states in solid-state materials. In this paper, we present Fe and As K-edge experiments of Ba(Fe1-xMx)2As2 (M = Mn, Co, and x = 0.0 and 0.08). The experiments reveal a strong polarization dependence of the probed XANES spectra, which concerns mainly an increase in the intensity of electronic transitions when the beam polarization is set out of the sample's ab crystallographic plane. The results show that states with pz-orbital character dominate the density of unoccupied states close to the Fermi level. Partial substitution of Fe by Co is shown to decrease the intensity anisotropy, suggesting that Co promotes electronic transfer preferentially to states with pz-orbital character. On the other hand, Mn substitution causes the increase in the spectra pz-orbital anisotropy, which is proposed to take place by means of an enhanced local Fe 3d4p mixing, unveiling the role of Fe 4p states in the localization of the Fe 3d orbitals. Moreover, by comparing our results to previous experiments, we identify the relative mixing between Fe and pnictide 4px,y,z orbitals as a clear divide between the electronic properties of iron arsenides and selenides. Our conclusions are supported by multiple-scattering theory calculations of the XANES spectra and by quantum chemistry calculations of the Fe coordination electronic structure. (AU) | |
| FAPESP's process: | 17/10581-1 - Emergent phenomena in reduced dimension systems |
| Grantee: | Pascoal Jose Giglio Pagliuso |
| Support Opportunities: | Special Projects |
| FAPESP's process: | 18/11364-7 - Magnetic properties of complex systems with non-trivial topology |
| Grantee: | Jean Carlo Souza |
| Support Opportunities: | Scholarships in Brazil - Doctorate |
| FAPESP's process: | 19/05150-7 - Electronic structure and magnetic excitations of magnetic superconductors |
| Grantee: | Marli dos Reis Cantarino |
| Support Opportunities: | Scholarships in Brazil - Doctorate |
| FAPESP's process: | 15/15665-3 - Studies of orbital differentiation effects in the magnetic and superconducting properties of FeAs based compounds |
| Grantee: | Mário Moda Piva |
| Support Opportunities: | Scholarships in Brazil - Doctorate (Direct) |
| FAPESP's process: | 20/12283-0 - Scanning tunneling microscopy in topological nontrivial compounds |
| Grantee: | Jean Carlo Souza |
| Support Opportunities: | Scholarships abroad - Research Internship - Doctorate |
| FAPESP's process: | 20/13701-0 - ARPES study of the electronic structure in iron-based superconductors |
| Grantee: | Marli dos Reis Cantarino |
| Support Opportunities: | Scholarships abroad - Research Internship - Doctorate |
| FAPESP's process: | 19/23879-4 - Synthesis and characterization of the Iron Based Superconductors LnFeAsO1xFx (ln = la, CE) |
| Grantee: | Wagner Ribeiro da Silva Neto |
| Support Opportunities: | Scholarships in Brazil - Scientific Initiation |
| FAPESP's process: | 19/04196-3 - Investigation of crystalline electric field effects in magnetic and superconducting states in the Ce2RhIn8-xCdx compounds |
| Grantee: | Denise Sacramento Christovam |
| Support Opportunities: | Scholarships in Brazil - Master |