Predicted energy band gaps of (AIIIBV)1−xX2xIVmetastable, substitutional, crystalline alloys

1985 ◽  
Vol 32 (6) ◽  
pp. 4034-4041 ◽  
Author(s):  
David W. Jenkins ◽  
Kathie E. Newman ◽  
John D. Dow
Keyword(s):  
Energy Band ◽  
Band Gaps

Effect of pressure on the energy band gaps of wurtzite GaN and AlN and electronic properties of their ternary alloys AlxGa1−xN

2012 ◽  
Vol 407 (17) ◽  
pp. 3604-3609 ◽  
Author(s):  
Y. Oussaifi ◽  
A. Said ◽  
A. Ben Fredj ◽  
L. Debbichi ◽  
D. Ceresoli ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Energy Band ◽  
Band Gaps ◽  
Ternary Alloys ◽  
Effect Of Pressure

Influence of bulky substituents on the photophysical properties of homoleptic iridium(iii) complexes

2019 ◽  
Vol 21 (13) ◽  
pp. 6908-6916 ◽  
Author(s):  
Jin-Hyoung Kim ◽  
So-Yoen Kim ◽  
Dae Won Cho ◽  
Ho-Jin Son ◽  
Sang Ook Kang
Keyword(s):  
Energy Band ◽  
Photophysical Properties ◽  
Band Gaps ◽  
Rigid Environment

The phosphorescence properties are influenced not only by energy band gaps but also by a restricted structure and a rigid environment.

scholarly journals Pseudo-resonance and energy band gaps in plasmonic crystals

2019 ◽  
Vol 26 (2) ◽  
pp. 022111 ◽  
Author(s):  
M. Akbari-Moghanjoughi
Keyword(s):  
Energy Band ◽  
Band Gaps ◽  
Plasmonic Crystals

Observation of the Direct Energy Band Gaps of Defect-Tolerant Cu3N by Ultrafast Pump-Probe Spectroscopy

2020 ◽  
Vol 124 (6) ◽  
pp. 3459-3469
Author(s):  
Matthew Zervos ◽  
Andreas Othonos ◽  
Marios Sergides ◽  
Theodore Pavloudis ◽  
Joseph Kioseoglou
Keyword(s):  
Energy Band ◽  
Band Gaps ◽  
Pump Probe ◽  
Direct Energy ◽  
Probe Spectroscopy

High direct energy band gaps determination in In[sub x]Al[sub 1−x]As coherently grown on InP

2002 ◽  
Vol 20 (1) ◽  
pp. 243 ◽  
Author(s):  
Annalisa Convertino ◽  
Giuseppina Padeletti ◽  
Luciana Cerri ◽  
Sesto Viticoli
Keyword(s):  
Energy Band ◽  
Band Gaps ◽  
Direct Energy

Spin-orbit splittings and energy band gaps calculated with the Heyd-Scuseria-Ernzerhof screened hybrid functional

2006 ◽  
Vol 74 (7) ◽  
Author(s):  
Juan E. Peralta ◽  
Jochen Heyd ◽  
Gustavo E. Scuseria ◽  
Richard L. Martin
Keyword(s):  
Energy Band ◽  
Band Gaps ◽  
Spin Orbit ◽  
Hybrid Functional

scholarly journals COMFORMATIONAL ANALYSIS AND ELECTRONIC PROPERTIES OF FLUOROMETHYLFURAN OLIGOMERS: SEMIEMPIRICAL AND DFT STUDY

2017 ◽  
Vol 36 (3) ◽  
pp. 26
Author(s):  
Banjo Semire ◽  
Isaiah Ajibade Adejoro ◽  
Olusegun Abayomi Odunola
Keyword(s):  
Electronic Properties ◽  
Energy Band ◽  
Dipole Moments ◽  
Electronic Spectroscopy ◽  
Polymer Chains ◽  
Band Gaps ◽  
Basis Set ◽  
Noticeable Effect ◽  
Stable Conformation ◽  
Lower Energy Band

Structural and electronic properties of oligomers of fluoromethylfurans (FMFs), OC4H4-CHnF3-n with n = 1, 2, 3 and 4 have been studied using ZINDO/AM1 and B3LYP/6-31G(d) basis set. Preliminary study using AM1 and ab initio (HF) 6-31G(d) with medium basis set was carried out on di-, tri- and tetramer FMFs in order to investigate the stability of configuration of the polymer chains and conformation analysis of the dimers. There is noticeable effect of substituents on the geometries of FMFs as compared to polyfuran, polymethylfuran and chloromethylfuran (CMF) analogues [11]as well as improved characteristics as conducting polymers compared polymethylfurans and CMFs. The most stable conformation is the anti-planar conformation except in fluoromethylfuran in which antigauche conformation is most stable. The energy band gaps, electronic spectroscopy and electronic dipole moment vectors of the compounds are presented. Generally FMFs present lower energy band gaps, longer wavelength and higher electric dipole moments and are therefore more suitable as monomer for conducting polymer especially trifluoromethylfuran.

Sign in / Sign up

Export Citation Format

Share Document