Local electronic structure of ZnS and ZnSe doped by Mn, Fe, Co, and Ni from x-ray-absorption near-edge structure studies

Theoretical studies have been made of K-edge x-ray absorption near edge structure (XANES) of Co in CoO, Co(OH)2, CoTiO3, Co3O4, and CoAl2O4. Correlations of experimental near edge features with site symmetry, local geometry, local electronic structure, i.e., atomic configuration, charge transfer, and backscattering from neighboring atomic potentials are interpreted. The self-consistent Discrete Variational Xa Method (DV-Xα) within an embedded cluster technique has been used to generate the crystal potential. A multiple scattering (MS) approach is then used to solve for the final state wave function. The ground state DV wave functions are analyzed in terms of the projected density of states, whereas the final state MS continuum wave functions are analyzed through the concept of photoelectron trapping time.

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High Temperature X-ray Absorption Spectroscopy of the Local Electronic Structure and Oxide Vacancy Formation in the Sr2Fe1.5Mo0.5O6−δ Solid Oxide Fuel Cell Anode Catalyst

ACS Applied Energy Materials ◽

10.1021/acsaem.8b01579 ◽

2019 ◽

Vol 2 (5) ◽

pp. 3061-3070 ◽

Cited By ~ 1

Author(s):

Andrew C. D’Orazio ◽

Tim Marshall ◽

Tamanna Sultana ◽

Janelle K. Gerardi ◽

Carlo U. Segre ◽

...

Keyword(s):

Electronic Structure ◽

Solid Oxide ◽

Oxide Fuel ◽

Anode Catalyst ◽

X Ray ◽

Local Electronic Structure ◽

Cell Anode ◽

Fuel Cell Anode ◽

X Ray Absorption ◽

Oxide Vacancy

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Electronic structure study of liquid germanium based on x-ray-absorption near-edge structure spectroscopy

Physical Review B ◽

10.1103/physrevb.59.1571 ◽

1999 ◽

Vol 59 (3) ◽

pp. 1571-1574 ◽

Cited By ~ 5

Author(s):

Chenxi Li ◽

Kunquan Lu ◽

Yuren Wang ◽

Kozaburo Tamura ◽

Shinya Hosokawa ◽

...

Keyword(s):

Electronic Structure ◽

Structure Study ◽

Edge Structure ◽

X Ray ◽

X Ray Absorption

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Local electronic structure and magnetic properties ofLaMn0.5Co0.5O3studied by x-ray absorption and magnetic circular dichroism spectroscopy

Physical Review B ◽

10.1103/physrevb.77.125124 ◽

2008 ◽

Vol 77 (12) ◽

Cited By ~ 113

Author(s):

T. Burnus ◽

Z. Hu ◽

H. H. Hsieh ◽

V. L. J. Joly ◽

P. A. Joy ◽

...

Keyword(s):

Magnetic Properties ◽

Electronic Structure ◽

Circular Dichroism ◽

Magnetic Circular Dichroism ◽

Circular Dichroism Spectroscopy ◽

X Ray ◽

Magnetic Circular Dichroism Spectroscopy ◽

Local Electronic Structure ◽

X Ray Absorption ◽

Circular Dichroïsm

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Electronic Structure of P-Doped ZnO Films with p-Type Conductivity

Journal of Nanoscience and Nanotechnology ◽

10.1166/jnn.2006.17953 ◽

2006 ◽

Vol 6 (11) ◽

pp. 3422-3425

Author(s):

Veeramuthu Vaithianathan ◽

Jong Ha Moon ◽

Chang-Hwan Chang ◽

Kandasami Asokan ◽

Sang Sub Kim

Keyword(s):

Electronic Structure ◽

Xanes Spectrum ◽

Sharp Decrease ◽

Zno Films ◽

Charge Neutrality ◽

Edge Structure ◽

X Ray ◽

Doped Zno ◽

P Type ◽

X Ray Absorption

The electronic structure of laser-deposited P-doped ZnO films was investigated by X-ray absorption near-edge structure spectroscopy (XANES) at the O K-, Zn K-, and Zn L3-edges. While the O K-edge XANES spectrum of the n-type P-doped ZnO demonstrates that the density of unoccupied states, primarily O 2p–P 3sp hybridized states, is significantly high, the O K-edge XANES spectrum of the p-type P-doped ZnO shows a sharp decrease in intensity of the corresponding feature indicating that P replaces O sites in the ZnO lattice, and thereby generating PO. This produces holes to maintain charge neutrality that are responsible for the p-type behavior of P-doped ZnO. Both the Zn K-, and Zn L3-edge XANES spectra of the P-doped ZnO reveal that Zn plays no significant role in the p-type behavior of ZnO:P.

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