Hydrogen incorporation induced the octahedral symmetry variation in VO2 films

2017 ◽  
Vol 396 ◽  
pp. 36-40 ◽  
Author(s):  
Dooyong Lee ◽  
Hyegyeong Kim ◽  
Ji Woong Kim ◽  
Ik Jae Lee ◽  
Yooseok Kim ◽  
...  
2003 ◽  
Vol 12 (3-7) ◽  
pp. 632-635 ◽  
Author(s):  
M. Camero ◽  
R. Gago ◽  
C. Gómez-Aleixandre ◽  
J.M. Albella

2009 ◽  
Vol 21 (1) ◽  
pp. 9-16 ◽  
Author(s):  
Fiorenza Deon ◽  
Monika Hövelmann Koch-Müller ◽  
Sylvia-Monique Thomas

1998 ◽  
Vol 538 ◽  
Author(s):  
J. F. Justo ◽  
F. De Brito Mota ◽  
A. Fazziom

AbstractWe combined empirical and ab initio methods to study structural and electronic properties of amorphous silicon nitride. For such study, we developed an interatomic potential to describe the interactions between silicon, nitrogen, and hydrogen atoms. Using this potential, we performed Monte Carlo simulations in a simulated annealing scheme to study structural properties of amorphous silicon nitride. Then this potential was used to generate relevant structures of a-SiNx:Hy which were input configurations to ab initio calculations. We investigated the electronic and structural role played by hydrogen incorporation in amorphous silicon nitride.


2015 ◽  
Vol 100 (8-9) ◽  
pp. 1912-1920 ◽  
Author(s):  
Virginie Baptiste ◽  
Sylvie Demouchy ◽  
Shantanu Keshav ◽  
Fleurice Parat ◽  
Nathalie Bolfan-Casanova ◽  
...  

2018 ◽  
Vol 34 (4) ◽  
pp. 1937-1944 ◽  
Author(s):  
Vijay Kumar ◽  
Rajiv Kumar Singh ◽  
Veena Kumari ◽  
Birendra Kumar ◽  
Shivadhar Sharma

The ligand, 3-hydroxy-4-methoxybenzaldehydethiosemicarbazone has been prepared by the condensation of 3-hydroxy-4-methoxybenzaldehyde and thiosemicarbazide. With the help of this ligand the complexes of Co(II), Ni(II) and Cu(II) have been prepared with general formula [ML2X2] where X is secondary ligand, Cl–, NO3– and CH3COO–. The composition of complexes has been established by their microanalysis, while the metal contents have been determined gravimetrically and volumetrically. On the basis of IR spectra, the coordinating mode of ligand has been determined and has been found to have coordinated through azomethine nitrogen and thione sulphur. The magnetic moment of Co(II) complexes has been found between 4.96-4.72 B. M. The value is slightly higher than the μs value corresponding to three unpaired electrons (3.872 B.M). The increase in value may be attributed to orbital contribution from 4T1g ground state cubic term. The appearance of four bands in their electronic spectra is indicative of tetragonally distorted octahedral geometry of Co(II) complexes. The magnetic moment (3.20-3.30 B. M.) and appearance of 4 bands in the electronic spectra of Ni(II) complexes confirms the distorted octahedral geometry of the complexes. The magnetic moment of Cu(II) complexes has been determined to be (1.95-2.20 B. M.) which shows that Cu(II) complexes are magnetically dilute complexes. The appearance of three bands in their electronic spectra confirms John - Tellor distortion in octahedral symmetry of Cu(II) complexes. The various crystal field parameters exhibiting tetragonal distortion in the octahedral symmetry have also been derived. The positive value of Dt predicts tetragonal elongation in Oh symmetry.


2012 ◽  
Vol 51 ◽  
pp. 101801 ◽  
Author(s):  
Isao Sakaguchi ◽  
Ken Watanabe ◽  
Shunichi Hishita ◽  
Naoki Ohashi ◽  
Hajime Haneda

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