Electronic structure and magnetic anisotropy of L10-FePt thin film studied by hard x-ray photoemission spectroscopy and first-principles calculations

2016 ◽  
Vol 109 (4) ◽  
pp. 042404 ◽  
Author(s):  
S. Ueda ◽  
M. Mizuguchi ◽  
Y. Miura ◽  
J. G. Kang ◽  
M. Shirai ◽  
...  
Keyword(s):  
Thin Film ◽  
Electronic Structure ◽  
Magnetic Anisotropy ◽  
First Principles ◽  
Photoemission Spectroscopy ◽  
First Principles Calculations ◽  
X Ray

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

The electronic structure of defect chalcopyrite CdGa2Se4 as determined from first principles calculations and X-ray spectroscopy studies

2015 ◽  
Vol 56 (3) ◽  
pp. 492-496 ◽  
Author(s):  
A. A. Lavrentyev ◽  
B. V. Gabrelian ◽  
P. N. Shkumat ◽  
I. Ya. Nikiforov ◽  
O. V. Parasyuk ◽  
...  
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
First Principles Calculations ◽  
X Ray ◽  
Spectroscopy Studies

scholarly journals Electronic structure of β-Ta films from X-ray photoelectron spectroscopy and first-principles calculations

2019 ◽  
Vol 470 ◽  
pp. 607-612 ◽  
Author(s):  
Martin Magnuson ◽  
Grzegorz Greczynski ◽  
Fredrik Eriksson ◽  
Lars Hultman ◽  
Hans Högberg
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
Photoelectron Spectroscopy ◽  
First Principles Calculations ◽  
X Ray

Structural analysis of Gd6FeBi2 from single-crystal X-ray diffraction methods and electronic structure calculations

2019 ◽  
Vol 75 (5) ◽  
pp. 562-567 ◽  
Author(s):  
Jiliang Zhang ◽  
Yong-Mook Kang ◽  
Guangcun Shan ◽  
Svilen Bobev
Keyword(s):  
Electronic Structure ◽  
Single Crystal ◽  
First Principles ◽  
Earth Metal ◽  
Magnetic Ordering ◽  
Additional Contribution ◽  
First Principles Calculations ◽  
X Ray Diffraction ◽  
Magnetic Exchange ◽  
X Ray

The crystal structure of the gadolinium iron bismuthide Gd6FeBi2 has been characterized by single-crystal X-ray diffraction data and analyzed in detail using first-principles calculations. The structure is isotypic with the Zr6CoAl2 structure, which is a variant of the ZrNiAl structure and its binary prototype Fe2P (Pearson code hP9, Wyckoff sequence g f d a). As such, the structure is best viewed as an array of tricapped trigonal prisms of Gd atoms centered alternately by Fe and Bi. The magnetic-ordering temperature of this compound (ca 350 K) is much higher than that of other rare-earth metal-rich phases with the same or related structures. It is also higher than the ordering temperature of many other Gd-rich ternary phases, where the magnetic exchange is typically governed by Ruderman–Kittel–Kasuya–Yosida (RKKY) interactions. First-principles calculations reveal a larger than expected Gd magnetic moment, with the additional contribution arising from the Gd 5d electrons. The electronic structure analysis suggests strong Gd 5d–Fe 3d hybridization to be the cause of this effect, rather than weak interactions between Gd and Bi. These details are of importance for understanding the magnetic response and explaining the high ordering temperature in this material.

Electronic structure of CeCo1−Fe Ge3 studied by X-ray photoelectron spectroscopy and first-principles calculations

2019 ◽  
Vol 787 ◽  
pp. 744-750 ◽  
Author(s):  
P. Skokowski ◽  
K. Synoradzki ◽  
M. Werwiński ◽  
A. Bajorek ◽  
G. Chełkowska ◽  
...  
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
Photoelectron Spectroscopy ◽  
First Principles Calculations ◽  
X Ray

Electronic Structure of Rare-Earth Scandates from X-Ray Spectroscopy and First-Principles Calculations

2012 ◽  
Vol 438 (1) ◽  
pp. 45-54
Author(s):  
A. V. Postnikov ◽  
C. Derks ◽  
K. Kuepper ◽  
M. Neumann
Keyword(s):  
Electronic Structure ◽  
Rare Earth ◽  
First Principles ◽  
First Principles Calculations ◽  
X Ray
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