Theoretical and experimental investigation of the 2-hydroxyquinoxaline structure: Study of the tautomerization equilibrium system and analysis of the electronic properties

2018 ◽  
Vol 59 (1) ◽  
pp. 77-84
Author(s):  
A. Makhloufi ◽  
◽  
R. Ghemit ◽  
M. Baitiche ◽  
M. Merbah ◽  
...  
Keyword(s):  
Experimental Investigation ◽  
Electronic Properties ◽  
Structure Study ◽  
Equilibrium System

scholarly journals 5f Delocalization of Bulk FCC Americium and the (111) Surface: A FP-LAPW Electronic Structure Study

2005 ◽  
Vol 893 ◽  
Author(s):  
Da Gao ◽  
Asok K Ray
Keyword(s):  
Electronic Properties ◽  
Local Density ◽  
Structure Study ◽  
Orbit Coupling ◽  
Full Potential ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Generalized Gradient ◽  
Quantum Size ◽  
Ferromagnetic Ground State

AbstractThe electronic properties of bulk fcc americium and the (111) surface have been investigated with the full-potential linearized augmented plane wave (FP-LAPW) method as implemented in the WIEN2K suite of programs The study is carried out for the anti-ferromagnetic ground state of Am at different levels of theory: (1) scalar-relativity vs. full-relativity; (2) local-density approximation (LDA) vs. generalized-gradient approximation (GGA). Our results indicate that spin orbit coupling plays an important role in determining the electronic properties of both bulk fcc americium and the (111) surface. In general, LDA is found to give a higher total energy compared to GGA results. The spin orbit coupling shows a similar effect on the surface calculations regardless of the model, GGA versus LDA. The 5f localized-delocalized transition of americium is employed to explain our results. In addition, the quantum size effects in the surface energies and the work functions of fcc (111) americium ultra thin films (UTF) are also examined.

Experimental investigation on the electronic properties of 2,2′-biquinoline. A study by UV-visible spectroscopy

1999 ◽  
Vol 81 (2) ◽  
pp. 159-162 ◽  
Author(s):  
B. Benali ◽  
M. Fadouach ◽  
B. Kabouchi ◽  
C. Cazeau-Dubroca ◽  
G. Nouchi
Keyword(s):  
Experimental Investigation ◽  
Electronic Properties ◽  
Visible Spectroscopy ◽  
Uv Visible

A combined computational and experimental investigation of Mg doped α-Fe2O3

2016 ◽  
Vol 18 (2) ◽  
pp. 781-791 ◽  
Author(s):  
Monica Kosa ◽  
Hannah Noa Barad ◽  
Vijay Singh ◽  
David A. Keller ◽  
Klimentiy Shimanovich ◽  
...  
Keyword(s):  
Experimental Study ◽  
Experimental Investigation ◽  
Electronic Properties ◽  
Experimental Techniques ◽  
Mg Doped

A combined computational and experimental study explores electronic properties of Mg doped α-Fe2O3 using several complimentary computational and experimental techniques.

Electronic properties of particle-counting diamonds - Electronic properties of particle-counting diamonds I. Photoconductivity

1967 ◽  
Vol 262 (1126) ◽  
pp. 251-276 ◽  
Keyword(s):  
Thermal Decomposition ◽  
Experimental Investigation ◽  
Optical Properties ◽  
Electronic Properties ◽  
Valence Band ◽  
Room Temperature ◽  
Energy Gap ◽  
Intrinsic Absorption ◽  
Particle Counting ◽  
Temperature Spectra

An account is given of an experimental investigation into the photoconductivity of particle-counting diamonds at room temperature and at 80 °K. Photoconduction spectra were obtained in the range 2500 to 200 nm which are typical of type la diamonds. The room temperature spectra are characterized by a system of eight photoconduction peaks. The peaks are attributed to the intrinsic absorption, the thermal decomposition of excitons and the excitation of three levels in the forbidden energy gap at 0-85, 1.45 and 2.2 eV from the valence band. This model is consistent with the known electro-optical properties of type la diamonds. The model is formulated mathematically and formally shown to predict the observed photoconduction responses of the diamonds to certain characteristic illuminations.

Structural, Mechanical and Electronic Properties of o-BC6N

2019 ◽  
Vol 74 (11) ◽  
pp. 1037-1042
Author(s):  
Ruijiao Jiang ◽  
Jianguo Zhang ◽  
Qun Wei ◽  
Minhua Xue
Keyword(s):  
High Pressure ◽  
Electronic Structure ◽  
Shear Modulus ◽  
Electronic Properties ◽  
First Principles ◽  
Poisson’S Ratio ◽  
Structure Study ◽  
Poisson's Ratio ◽  
First Principles Calculations ◽  
Large Anisotropy

AbstractThe mechanical and electronic properties of o-BC6N are studied by using first-principles calculations. The anisotropy studies of Young’s modulus, shear modulus and Poisson’s ratio show that o-BC6N exhibits a large anisotropy. Electronic structure study shows that o-BC6N presents metallicity under the conditions of zero and high pressure.

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