First-principles calculation of magnetic circular dichroism of transition-metal L 2,3 -edge X-ray absorption near-edge structures

2009 ◽  
Vol 109 (12) ◽  
pp. 2672-2676 ◽  
Author(s):  
K. Ogasawara ◽  
A. Chaya ◽  
S. Watanabe ◽  
H. Yoshida
Keyword(s):  
Circular Dichroism ◽  
Transition Metal ◽  
First Principles ◽  
Magnetic Circular Dichroism ◽  
First Principles Calculation ◽  
X Ray ◽  
X Ray Absorption ◽  
Circular Dichroïsm

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.

Magnetic anisotropy in Ta/CoFeB/MgO investigated by x-ray magnetic circular dichroism and first-principles calculation

2014 ◽  
Vol 105 (22) ◽  
pp. 222409 ◽  
Author(s):  
Shun Kanai ◽  
Masahito Tsujikawa ◽  
Yoshio Miura ◽  
Masafumi Shirai ◽  
Fumihiro Matsukura ◽  
...  
Keyword(s):  
Circular Dichroism ◽  
Magnetic Anisotropy ◽  
First Principles ◽  
Magnetic Circular Dichroism ◽  
First Principles Calculation ◽  
X Ray ◽  
Circular Dichroïsm

Magnetic State in Iron Hydride Under Pressure Studied by X-ray Magnetic Circular Dichroism at the FeK-edge

2010 ◽  
Vol 1262 ◽  
Author(s):  
Naoki Ishimatsu ◽  
Yasuharu Matsushima ◽  
Hiroshi Maruyama ◽  
Takao Tsumuraya ◽  
Tamio Oguchi ◽  
...  
Keyword(s):  
Circular Dichroism ◽  
First Principles ◽  
Magnetic State ◽  
Magnetic Circular Dichroism ◽  
First Principles Calculation ◽  
X Ray ◽  
Narrow Region ◽  
Iron Hydride ◽  
Magnetic States ◽  
Circular Dichroïsm

AbstractIn order to study magnetic states in Fe-hydride under pressure, X-ray magnetic circular dichroism (XMCD) at the FeK-edge has been measured up to 27.5 GPa. As a result, hydrogenation from bcc-Fe to dhcp-FeH occurs within a narrow region of 3.2-3.8 GPa, which is clearly observed by the dichroic profile in dhcp-FeH differing from that in bcc-Fe. Influence of H atoms on Fe 3dand 4pelectronic states is discussed using the pressure-dependent XMCD and the first-principles calculation.

scholarly journals Soft x-ray absorption spectroscopy and magnetic circular dichroism as operando probes of complex oxide electrolyte gate transistors

2020 ◽  
Vol 116 (20) ◽  
pp. 201905
Author(s):  
Biqiong Yu ◽  
Guichuan Yu ◽  
Jeff Walter ◽  
Vipul Chaturvedi ◽  
Joseph Gotchnik ◽  
...  
Keyword(s):  
Circular Dichroism ◽  
Absorption Spectroscopy ◽  
Magnetic Circular Dichroism ◽  
Complex Oxide ◽  
X Ray ◽  
X Ray Absorption ◽  
Circular Dichroïsm ◽  
Oxide Electrolyte

scholarly journals Soft X-ray Magnetic Circular Dichroism in 3d Transition-Metal Chalcogenides

1999 ◽  
Vol 23 (1_2) ◽  
pp. 504-506
Author(s):  
H. Miyauchi ◽  
T. Koide ◽  
T. Shidara ◽  
N. Nakajima ◽  
H. Fukutani ◽  
...  
Keyword(s):  
Circular Dichroism ◽  
Transition Metal ◽  
Magnetic Circular Dichroism ◽  
Metal Chalcogenides ◽  
X Ray ◽  
Transition Metal Chalcogenides ◽  
Circular Dichroïsm
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