XANES study of K edges of Fe, Co, Ni, and Se in transition metal selenides. Experiment and comparison with LMTO numerical calculations

Kisiel, A.; Zajdel, P.; Lee, P.M.; Burattini, E.; Giriat, W.

doi:10.1016/s0925-8388(98)00980-3

Cited by 9 publications

(10 citation statements)

References 18 publications

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“…The XANES region was averaged from two runs, reduced and normalized for a comparison with the numerical calculations according to the procedure, which was already used earlier [13]. Fig.…”

Section: Methodsmentioning

confidence: 99%

“…So, it is possible to detect changes in the transition metal state by investigating the sulfur K-edge. We have successfully used such approach earlier for analysis of S K-edges of transition metal monosulfides [13].…”

Section: Xanes and Lapwmentioning

confidence: 99%

“…For the comparison with the experimental data, we have applied same the procedure which gave very good results earlier [13]. The experimental spectra were moved in energy and the 0 eV was put at the maximum of the first derivative (E 0 = 2469.19 ± 0.16 eV).…”

Section: Xanes and Lapwmentioning

confidence: 99%

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The influence of the concentration of Sb ions onto the local crystal and electronic structures of CuCr2−xSbxS4 (x=0.3, 0.4, 0.5) studied by XANES and EXAFS measurements and LAPW numerical calculations

Zajdel¹,

Kisiel²,

Warczewski³

et al. 2005

Journal of Alloys and Compounds

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“…The XANES region was averaged from two runs, reduced and normalized for a comparison with the numerical calculations according to the procedure, which was already used earlier [13]. Fig.…”

Section: Methodsmentioning

confidence: 99%

Section: Xanes and Lapwmentioning

confidence: 99%

See 1 more Smart Citation

The influence of the concentration of Sb ions onto the local crystal and electronic structures of CuCr2−xSbxS4 (x=0.3, 0.4, 0.5) studied by XANES and EXAFS measurements and LAPW numerical calculations

Zajdel¹,

Kisiel²,

Warczewski³

et al. 2005

Journal of Alloys and Compounds

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“…The linear shifting of absorption edge gives additional support to the random distribution of Cu over Fe, since inhomogeneity may give rise to deviations in the absorption spectra. In the Fe 4p states, 32 a smooth feature from 8 to 15 eV above the edge also showed a tendency toward larger areas, suggesting a systematic increase in unoccupied states above the Fermi level as more Cu is substituted. These results may provide a rational explanation to the observed resistivity increases and eventual insulating behavior, in higher Cu-doping samples.…”

mentioning

confidence: 97%

Doping-driven structural phase transition and loss of superconductivity inMxFe1−xSeδ
Huang
¹
,
Chen
²
,
Yeh
³

et al. 2010
Phys. Rev. B
59
7
46
0
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In this paper, we report the results of detailed studies on Mn and Cu substitution to Fe site of ␤-FeSe, namely, Mn x Fe 1−x Se 1−␦ and Cu x Fe 1−x Se 1−␦ ͑␦ equals to 0.03-0.05 based on our neutron-diffraction refinements͒. The results show that with only 10 at. % Cu doping the compound becomes a Mott insulator. Detailed temperature-dependent structural analyses of these Mn-and Cu-substituted compounds show that the structural transition, which is associated with the changes in the building block FeSe 4 tetrahedron, is essential to the occurrence of superconductivity in ␤-FeSe.

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“…For L edges this ratio is even several times smaller. The XANES theoretical analysis of the selenides with Fe, Co and Ni [30], which are lighter than Cu, shows that partially empty 3d states of transition metals can produce the PDOS energy distribution very closely to the Fermi level. This effect has been also confirmed for other transition metals.…”

Section: Fine Structure Of the X-ray Absorption Edgementioning

confidence: 99%

Synchrotron Methods of the Conduction Band Electronic Structure Analysis

Kisiel

2008

Acta Phys. Pol. A

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The experimental and theoretical studies of the density of states for unoccupied conduction band are a valid source of knowledge on the electronic structure of condensed matter. Among known analytical methods of density of states for unoccupied states a significant place is occupied by the methods with the use of intensive synchrotron radiation beam. Adequately chosen monochromatic beam excites electrons from the occupied core states or the valence band to unoccupied states in the conduction band. The most universal experimental method for the studies of the unoccupied conduction band is the X-ray absorption near edge structure analysis for X-ray edges of the constituent atoms of the material. A satisfying description of the unoccupied conduction band density of states can be also reached by the analysis of reflectivity coefficient in the vacuum ultraviolet (above 10 eV). The photoelectron energy distribution curves elaborated by the constant initial state and constant final state procedures deliver valuable information on the high excited states of conduction band. In the paper the menaces of the correct interpretation of the experimental results will be discussed. The efficiency of the unoccupied conduction band density of states studies with application of X-ray absorption near edge structure and analysis of reflectivity coefficient of light will be presented on the basis of several binary and ternary semiconductor compounds of II-VI group with transition metals as well as of some other compounds. To avoid a misinterpretation of the experimental results, the data were compared and discussed with an adequate theoretical band structure calculation.

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XANES study of K edges of Fe, Co, Ni, and Se in transition metal selenides. Experiment and comparison with LMTO numerical calculations

Cited by 9 publications

References 18 publications

The influence of the concentration of Sb ions onto the local crystal and electronic structures of CuCr2−xSbxS4 (x=0.3, 0.4, 0.5) studied by XANES and EXAFS measurements and LAPW numerical calculations

The influence of the concentration of Sb ions onto the local crystal and electronic structures of CuCr2−xSbxS4 (x=0.3, 0.4, 0.5) studied by XANES and EXAFS measurements and LAPW numerical calculations

Doping-driven structural phase transition and loss of superconductivity inMxFe1−xSeδ
Huang
¹
,
Chen
²
,
Yeh
³

et al. 2010
Phys. Rev. B
59
7
46
0
View full text Add to dashboard Cite

Synchrotron Methods of the Conduction Band Electronic Structure Analysis

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XANES study of K edges of Fe, Co, Ni, and Se in transition metal selenides. Experiment and comparison with LMTO numerical calculations

Cited by 9 publications

References 18 publications

The influence of the concentration of Sb ions onto the local crystal and electronic structures of CuCr2−xSbxS4 (x=0.3, 0.4, 0.5) studied by XANES and EXAFS measurements and LAPW numerical calculations

The influence of the concentration of Sb ions onto the local crystal and electronic structures of CuCr2−xSbxS4 (x=0.3, 0.4, 0.5) studied by XANES and EXAFS measurements and LAPW numerical calculations

Doping-driven structural phase transition and loss of superconductivity inMxFe1−xSeδHuang1, Chen2, Yeh3 et al. 2010Phys. Rev. B597460View full textAdd to dashboardCite

Synchrotron Methods of the Conduction Band Electronic Structure Analysis

Contact Info

Product

Resources

About

Doping-driven structural phase transition and loss of superconductivity inMxFe1−xSeδ
Huang
¹
,
Chen
²
,
Yeh
³

et al. 2010
Phys. Rev. B
59
7
46
0
View full text Add to dashboard Cite