Electronic Structure of Si-Doped BN Nanotubes Using X-ray Photoelectron Spectroscopy and First-Principles Calculation

2009 ◽  
Vol 21 (1) ◽  
pp. 136-143 ◽  
Author(s):  
Yong Jae Cho ◽  
Chang Hyun Kim ◽  
Han Sung Kim ◽  
Jeunghee Park ◽  
Hyun Chul Choi ◽  
...  
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
Photoelectron Spectroscopy ◽  
First Principles Calculation ◽  
X Ray ◽  
Si Doped ◽  
Bn Nanotubes

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

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

The origin of ferromagnetism of Co-doped TiO2 nanoparticles: Experiments and theory investigation

2016 ◽  
Vol 30 (32n33) ◽  
pp. 1650296 ◽  
Author(s):  
Suyin Zhang ◽  
Zhongpo Zhou ◽  
Rui Xiong ◽  
Jing Shi ◽  
Zhihong Lu ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Saturation Magnetization ◽  
First Principles ◽  
Photoelectron Spectroscopy ◽  
Oxygen Vacancies ◽  
First Principles Calculation ◽  
Ferromagnetic Behavior ◽  
X Ray ◽  
3D Electron ◽  
Co Doped

A series of Ti[Formula: see text]Co[Formula: see text]O[Formula: see text] ([Formula: see text] = 0.01, 0.03, 0.05, 0.07) nanoparticles were synthesized by sol–gel method. The X-ray diffraction, transmission electron microscopy, Raman analysis and X-ray photoelectron spectroscopy ruled out the signatures of Ti[Formula: see text], Co-clusters or any other oxides of Co. The ferromagnetic behavior was clearly observed at room temperature in doped samples with saturation magnetization [Formula: see text] of the order of 0.008–0.035 emu/g depending on doping concentrations. The saturation magnetization is found to be increased with the Co contents increasing from 1% to 7%. From the plot of the M–T curve, we obtain the [Formula: see text] as [Formula: see text][Formula: see text]515 K for 5% Co-doped TiO2. Oxygen vacancies were detected from the photoluminescence (PL) measurement. Magnetic properties analyses and PL analyses showed that oxygen vacancies probably played a major role in ferromagnetism of the Ti[Formula: see text]Co[Formula: see text]O2 system with Co substituting for Ti. The first-principles calculation was performed to investigate the magnetic properties of Co-doped TiO2 nanoparticles. It can be found that the major magnetic moment is from the 3d electron of Co. The experiment results are consistent with the first-principles calculation. The ferromagnetism derived from the spin-split of O-2p and Co-3d electron states caused by p–d orbit hybridization.

X-ray Photoelectron Spectroscopy and First Principles Calculation of BCN Nanotubes

2007 ◽  
Vol 129 (6) ◽  
pp. 1705-1716 ◽  
Author(s):  
Shin Young Kim ◽  
Jeunghee Park ◽  
Hyun Chul Choi ◽  
Jae Pyung Ahn ◽  
Jin Qiang Hou ◽  
...  
Keyword(s):  
First Principles ◽  
Photoelectron Spectroscopy ◽  
First Principles Calculation ◽  
X Ray
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