Vegard's law deviation in lattice constant and band gap bowing parameter of zincblende InxGa1−xN

2004 ◽  
Vol 237 (4-6) ◽  
pp. 363-369 ◽  
Author(s):  
Yen-Kuang Kuo ◽  
Bo-Ting Liou ◽  
Sheng-Horng Yen ◽  
Han-Yi Chu
Keyword(s):  
Band Gap ◽  
Lattice Constant ◽  
Bowing Parameter ◽  
Vegard’S Law

THE COMPOSITION EFFECT ON THE BOWING PARAMETER IN THE CUBIC TlxAl1-xAs

2012 ◽  
Vol 26 (30) ◽  
pp. 1250199 ◽  
Author(s):  
S. ERDEN GULEBAGLAN
Keyword(s):  
Band Gap ◽  
Composition Dependence ◽  
Local Density ◽  
Polynomial Equation ◽  
Band Gap Energy ◽  
Third Order ◽  
Lattice Constants ◽  
Bowing Parameter ◽  
Vegard’S Law ◽  
Order Polynomial

The band gap bowing parameter of the new semiconductor Tl x Al 1-x As alloys are investigated numerically based on first-principles calculations and the local density approximation. A 16-atom supercell is used to model for the ternary Tl x Al 1-x As alloys. The alloy's lattice constants obey Vegard's law well. Band gap bowing coefficients show very strong composition dependence. The results suggest that the unstrained band gap bowing parameter of the ternary Tl x Al 1-x As alloys is b = 1.9754 eV. The results also suggest that the composition-dependent band gap energy of the zincblende alloys can be expressed by a third-order polynomial equation, Eg(x) = -7.2064x3 + 14.8397x2-10.016x + 2.2217 eV .

Vegard’s law deviation in band gap and bowing parameter of AlxIn1-xN

2005 ◽  
Vol 81 (3) ◽  
pp. 651-655 ◽  
Author(s):  
B.-T. Liou ◽  
S.-H. Yen ◽  
Y.-K. Kuo
Keyword(s):  
Band Gap ◽  
Bowing Parameter ◽  
Vegard’S Law

Optical, structural investigations and band-gap bowing parameter of GaInN alloys

2009 ◽  
Vol 311 (10) ◽  
pp. 2795-2797 ◽  
Author(s):  
M. Moret ◽  
B. Gil ◽  
S. Ruffenach ◽  
O. Briot ◽  
Ch. Giesen ◽  
...  
Keyword(s):  
Band Gap ◽  
Structural Investigations ◽  
Bowing Parameter

scholarly journals Lattice-constant and band-gap tuning in wurtzite and zincblende BInGaN alloys

2019 ◽  
Vol 126 (5) ◽  
pp. 055702 ◽  
Author(s):  
Kevin Greenman ◽  
Logan Williams ◽  
Emmanouil Kioupakis
Keyword(s):  
Band Gap ◽  
Lattice Constant ◽  
Band Gap Tuning

Characterizations of Zinc Oxynitride Powders Prepared Under Ammonia Gas Flow

2003 ◽  
Vol 17 (08n09) ◽  
pp. 1523-1526 ◽  
Author(s):  
Takashi Sakamoto ◽  
Ryoji Saki ◽  
Toshihiro Moriga ◽  
Kei Ichiro Murai ◽  
Ichiro Nakabayashi
Keyword(s):  
Band Gap ◽  
Oxygen Content ◽  
Lattice Constant ◽  
Gas Flow ◽  
Optical Band Gap ◽  
Zinc Powder ◽  
Ammonia Gas

The anti-bixbyite-type zinc oxynitrides Zn 3( N1-xOx ) 2-y could be prepared by directly nitriding zinc powder under ammonia gas flow. Oxygen content x and amount of anion deficiency y decreased with increasing nitriding period at [Formula: see text]. Zn 3( N0.91O0.09 )1.98 could be obtained after the 168 hours of nitridation at [Formula: see text]. Reduction of both x and y, especially x, enhanced the lattice constant and reduced optical band gap of the oxynitride.

E0 band‐gap energy and lattice constant of ternary Zn1−xMgxSe as functions of composition

1996 ◽  
Vol 69 (1) ◽  
pp. 97-99 ◽  
Author(s):  
B. Jobst ◽  
D. Hommel ◽  
U. Lunz ◽  
T. Gerhard ◽  
G. Landwehr
Keyword(s):  
Band Gap ◽  
Lattice Constant ◽  
Band Gap Energy ◽  
Gap Energy

Cs2AgBiBr6−xClx solid solutions – band gap engineering with halide double perovskites

2019 ◽  
Vol 7 (31) ◽  
pp. 9686-9689 ◽  
Author(s):  
Matthew B. Gray ◽  
Eric T. McClure ◽  
Patrick M. Woodward
Keyword(s):  
Solid Solution ◽  
Band Gap ◽  
Solid Solutions ◽  
Double Perovskite ◽  
Double Perovskites ◽  
Band Gap Engineering ◽  
Vegard’S Law ◽  
Upward Deviation

The halide double perovskite solid solution Cs2AgBiBr6−xClx has been investigated and found to exhibit a band gap that increases from 2.2 eV to 2.8 eV as the Cl− content increases, with an upward deviation from Vegard's law when x > 5.

Band gap bowing parameter in pseudomorphic AlxGa1−xN/GaN high electron mobility transistor structures

2015 ◽  
Vol 117 (22) ◽  
pp. 225702 ◽  
Author(s):  
Anshu Goyal ◽  
Ashok K. Kapoor ◽  
R. Raman ◽  
Sandeep Dalal ◽  
Premila Mohan ◽  
...  
Keyword(s):  
Band Gap ◽  
Electron Mobility ◽  
High Electron Mobility Transistor ◽  
High Electron ◽  
High Electron Mobility ◽  
Bowing Parameter

scholarly journals ACOUSTIC BAND GAP FORMATION IN METAMATERIALS

2010 ◽  
Vol 24 (25n26) ◽  
pp. 4935-4945 ◽  
Author(s):  
D. P. ELFORD ◽  
L. CHALMERS ◽  
F. KUSMARTSEV ◽  
G. M. SWALLOWE
Keyword(s):  
Band Gap ◽  
Lattice Constant ◽  
Low Frequency ◽  
Band Gaps ◽  
Gap Formation ◽  
Individual Band ◽  
Resonance Band ◽  
Frequency Regime ◽  
Sonic Crystal ◽  
The Individual

We present several new classes of metamaterials and/or locally resonant sonic crystal that are comprised of complex resonators. The proposed systems consist of multiple resonating inclusion that correspond to different excitation frequencies. This causes the formation of multiple overlapped resonance band gaps. We demonstrate theoretically and experimentally that the individual band gaps achieved, span a far greater range (≈ 2kHz) than previously reported cases. The position and width of the band gap is independent of the crystal's lattice constant and forms in the low frequency regime significantly below the conventional Bragg band gap. The broad envelope of individual resonance band gaps is attractive for sound proofing applications and furthermore the devices can be tailored to attenuate lower or higher frequency ranges, i.e., from seismic to ultrasonic.

scholarly journals First-principles study on electronic, optic, elastic, dynamic and thermodynamic properties of RbH compound

2015 ◽  
Vol 6 ◽  
pp. A6 ◽  
Author(s):  
Sinem Erden Gulebaglan ◽  
Emel Kilit Dogan ◽  
Mehmet Nurullah Secuk ◽  
Murat Aycibin ◽  
Bahattin Erdinc ◽  
...  
Keyword(s):  
Thermodynamic Properties ◽  
Band Gap ◽  
Lattice Constant ◽  
First Principles ◽  
Density Functional ◽  
Temperature Dependent ◽  
Functional Theory ◽  
Salt Structure ◽  
Elastic Lattice ◽  
Good Agreement

We performed first-principles calculations to obtain the electronic, optical, elastic, lattice-dynamical and thermodynamic properties of RbH compound with rock salt structure. The ground-state properties, i.e., the lattice constant and the band gap were investigated using a plane wave pseudopotential method within density functional theory. The calculated lattice constant, bulk modulus, energy band gap and elastic constants are reported and compared with previous theoretical and experimental results. Our calculated results and the previous results which are obtained from literature are in a good agreement. Moreover, real and imaginary parts of complex dielectric function, reflectivity spectrum, absorption, extinction coefficient and loss function as a function of photon energy and refractive index with respect to photon wavelength were calculated. In addition, temperature dependent thermodynamic properties such as Helmholtz free energy, internal energy, entropy and specific heat have been studied.

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