Electronic structure and x-ray-absorption near-edge structure of amorphous Zr-oxide and Hf-oxide thin films: A first-principles study

2005 ◽  
Vol 97 (7) ◽  
pp. 073519 ◽  
Author(s):  
SungKwan Kim ◽  
Yangsoo Kim ◽  
Jongin Hong ◽  
Isao Tanaka ◽  
Kwangsoo No
Keyword(s):  
Thin Films ◽  
Electronic Structure ◽  
First Principles ◽  
Oxide Thin Films ◽  
Edge Structure ◽  
X Ray ◽  
First Principles Study ◽  
X Ray Absorption

Electronic structure of Cr doped Fe 3 O 4 thin films by X-ray absorption near-edge structure spectroscopy

2018 ◽  
Vol 272 ◽  
pp. 48-52 ◽  
Author(s):  
Chi-Liang Chen ◽  
Chung-Li Dong ◽  
Kandasami Asokan ◽  
G. Chern ◽  
C.L. Chang
Keyword(s):  
Thin Films ◽  
Electronic Structure ◽  
Edge Structure ◽  
X Ray ◽  
X Ray Absorption

Electronic Structure and X-ray Absorption Spectra of Rutile TiO2 Using First-Principles Calculations

2014 ◽  
Vol 52 (12) ◽  
pp. 1025-1029
Author(s):  
Min-Wook Oh ◽  
Tae-Gu Kang ◽  
Byungki Ryu ◽  
Ji Eun Lee ◽  
Sung-Jae Joo ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Absorption Spectra ◽  
First Principles ◽  
First Principles Calculations ◽  
Rutile Tio2 ◽  
X Ray ◽  
X Ray Absorption

Electronic structure of TiO2 nanotube arrays from X-ray absorption near edge structure studies

2009 ◽  
Vol 19 (37) ◽  
pp. 6804 ◽  
Author(s):  
J. G. Zhou ◽  
H. T. Fang ◽  
J. M. Maley ◽  
M. W. Murphy ◽  
J. Y. Peter Ko ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Tio2 Nanotube Arrays ◽  
Tio2 Nanotube ◽  
Nanotube Arrays ◽  
Edge Structure ◽  
X Ray ◽  
X Ray Absorption

scholarly journals X-ray absorption spectroscopy elucidates the impact of structural disorder on electron mobility in amorphous zinc-tin-oxide thin films

2014 ◽  
Vol 104 (24) ◽  
pp. 242113 ◽  
Author(s):  
Sin Cheng Siah ◽  
Sang Woon Lee ◽  
Yun Seog Lee ◽  
Jaeyeong Heo ◽  
Tomohiro Shibata ◽  
...  
Keyword(s):  
Thin Films ◽  
Absorption Spectroscopy ◽  
Tin Oxide ◽  
Electron Mobility ◽  
Structural Disorder ◽  
Oxide Thin Films ◽  
X Ray ◽  
Zinc Tin Oxide ◽  
The Impact ◽  
X Ray Absorption

First principles calculations of intersite disorder influence on the electronic structure and X-ray magnetic circular dichroism in CoFeMnSi Heusler alloy

2020 ◽  
Vol 31 (08) ◽  
pp. 2050109
Author(s):  
S. Uba ◽  
A. Bonda ◽  
L. Uba ◽  
L. V. Bekenov ◽  
V. N. Antonov
Keyword(s):  
Electronic Structure ◽  
Circular Dichroism ◽  
First Principles ◽  
Heusler Alloy ◽  
Magnetic Circular Dichroism ◽  
Magnetic Moments ◽  
X Ray ◽  
The Rich ◽  
X Ray Absorption ◽  
Circular Dichroïsm

Electronic structure, X-ray absorption, and magnetic circular dichroism (XMCD) spectra in the CoFeMnSi Heusler alloy were studied from first principles. Fully relativistic Dirac linear muffin-tin orbital band structure method was implemented with various exchange–correlation functionals tested. The supercell approach was used to study the influence of intersite disorder, at the levels of 6.25%, 12.5%, and 25% within transition metal sites, on the XMCD spectra at [Formula: see text] edges and spin polarization (SP) at the Fermi level. It is found that most sensitive to Fe–Mn and Co–Fe disorder are XMCD spectra at [Formula: see text] edges of Fe, while the sensitivity decreases from Mn to Co. It is shown that magnetic moments estimated with the use of magneto-optical (MO) sum rules agree with the ab initio calculated ones to within [Formula: see text], [Formula: see text], and [Formula: see text], for Co, Fe, and Mn, respectively. The calculated SP decreases from 99% for ordered CoFeMnSi alloy, to 96% upon 25% Co–Fe disorder, to 83% for Fe–Mn disorder, and to 42% in the case of Co–Mn disorder. The calculated spectra agree well with the available experimental data. The rich XMCD spectral structures are predicted from first principles at Fe, Co, Mn and Si [Formula: see text] edges.

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

1999 ◽  
Vol 59 (3) ◽  
pp. 1571-1574 ◽  
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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