Pressure-dependent modifications in the optical and electronic properties of Fe(IO3)3: The role of Fe 3d and I 5p lone-pair electrons

2021 ◽  
Author(s):  
Akun Liang ◽  
Placida Rodríguez-Hernandez ◽  
Alfonso Munoz ◽  
Saqib Raman ◽  
Alfredo Segura ◽  
...  
Keyword(s):  
Optical Absorption ◽  
Band Gap ◽  
Electronic Properties ◽  
Lone Pair ◽  
Band Gap Energy ◽  
Gap Energy ◽  
Optical And Electronic Properties ◽  
Indirect Band Gap ◽  
Lone Pair Electrons

We have determined by means of optical-absorption experiments that Fe(IO3)3 is an indirect band-gap material with a band-gap energy of 2.1 eV. This makes this compound the iodate with the...

Precise Determination of the Direct–Indirect Band Gap Energy Crossover Composition in AlxGa1-xAs

2013 ◽  
Vol 6 (7) ◽  
pp. 071201 ◽  
Author(s):  
Daniel A. Beaton ◽  
Kirstin Alberi ◽  
Brian Fluegel ◽  
Angelo Mascarenhas ◽  
John L. Reno
Keyword(s):  
Band Gap ◽  
Band Gap Energy ◽  
Precise Determination ◽  
Gap Energy ◽  
Indirect Band Gap

scholarly journals Optical absorption of divalent metal tungstates: Correlation between the band-gap energy and the cation ionic radius

2008 ◽  
Vol 83 (3) ◽  
pp. 37002 ◽  
Author(s):  
R. Lacomba-Perales ◽  
J. Ruiz-Fuertes ◽  
D. Errandonea ◽  
D. Martínez-García ◽  
A. Segura
Keyword(s):  
Optical Absorption ◽  
Band Gap ◽  
Ionic Radius ◽  
Band Gap Energy ◽  
Divalent Metal ◽  
Gap Energy ◽  
Metal Tungstates

Selective Photochemical Dry Etching of Compound Semiconductors: Enhanced Control Through Secondary Electronic Properties

1988 ◽  
Vol 129 ◽  
Author(s):  
Carol I. H. Ashby
Keyword(s):  
Quantum Yield ◽  
Band Gap ◽  
Electronic Properties ◽  
Compound Semiconductors ◽  
Dry Etching ◽  
Band Gap Energy ◽  
Carrier Generation ◽  
Gap Energy ◽  
Free Carriers ◽  
Carrier Recombination

ABSTRACTWhen laser-driven etching of a semiconductor requires direct participation of photogenerated carriers, the etching quantum yield will be sensitive to the electronic properties of a specific semiconductor material. The band-gap energy of the semiconductor determines the minimum photon energy needed for carrier-driven etching since sub-gap photons do not generate free carriers. However, only those free carriers that reach the reacting surface contribute to etching and the ultimate carrier flux to the surface is controlled by more subtle electronic properties than the lowestenergy band gap. For example, the initial depth of carrier generation and the probability of carrier recombination between the point of generation and the surface profoundly influence the etching quantum yield. Appropriate manipulation of process parameters can provide additional reaction control based on such secondary electronic properties. Applications to selective dry etching of GaAs and related materials are discussed here.

Optical Absorption of Large Band-Gap SbxBi1-xI3 Alloys

2002 ◽  
Vol 744 ◽  
Author(s):  
C. Persson ◽  
R. Ahuja ◽  
J. Souza de Almeida ◽  
B. Johansson ◽  
C. Y. An ◽  
...  
Keyword(s):  
Optical Absorption ◽  
Band Gap ◽  
Band Gap Energy ◽  
Full Potential ◽  
Generalized Gradient ◽  
Calculated Density ◽  
Augmented Plane Wave ◽  
Gap Energy ◽  
Generalized Gradient Approximation ◽  
Absorption Measurements

ABSTRACTThe optical properties of SbBiI3 alloys have been investigated experimentally by absorption measurements and theoretically by a full-potential augmented plane wave (FPLAPW) method within the generalized gradient approximation. The fundamental band-gap energy of these alloys changes from BiI3- to SbI3-like with increasing percentage of Sb content. The calculated band-gap energies as well as the optical absorption were found to be in a very good qualitatively agreement with the experimental results. We present calculated density-of-states as well as the dielectric functions for evaluation of future experiments.

Role of the Mn substituent in Na3V2(PO4)3 for high-rate sodium storage

2018 ◽  
Vol 6 (34) ◽  
pp. 16627-16637 ◽  
Author(s):  
Jae-Sang Park ◽  
Jongsoon Kim ◽  
Jae Hyeon Jo ◽  
Seung-Taek Myung
Keyword(s):  
Electron Transfer ◽  
Electrochemical Performance ◽  
Band Gap ◽  
Electric Conductivity ◽  
Carbon Coating ◽  
Band Gap Energy ◽  
High Rate ◽  
Gap Energy ◽  
Sodium Storage

C/NVMP allowed high electrochemical performance supported by the replace V by the Mn promoted the easier electron transfer through lower band gap energy than Mn-free NVP and carbon coating increase the electric conductivity up to 2 × 10−3 s cm−1, which led to superior electrode performance.

The role of solvents in framework dimensionality and their effect on band gap energy

2015 ◽  
Vol 44 (3) ◽  
pp. 1009-1016 ◽  
Author(s):  
K. S. Asha ◽  
P. R. Kavyasree ◽  
Anu George ◽  
Sukhendu Mandal
Keyword(s):  
Band Gap ◽  
Crucial Role ◽  
Band Gap Energy ◽  
Gap Energy ◽  
Framework Materials ◽  
Hybrid Framework

Solvents play a crucial role towards the dimensionality and band gap energy of hybrid framework materials.

Density Functional Theory (DFT) Study: Electronic Properties of Silicene under Uniaxial Strain as H2S Gas Sensor

2016 ◽  
Vol 675-676 ◽  
pp. 15-18 ◽  
Author(s):  
Sasfan Arman Wella ◽  
Irfan Dwi Aditya ◽  
Triati Dewi Kencana Wungu ◽  
Suprijadi
Keyword(s):  
Band Gap ◽  
Electronic Properties ◽  
Density Functional ◽  
Band Gap Energy ◽  
Engineering Strain ◽  
Functional Theory ◽  
First Principle Calculation ◽  
Gap Energy ◽  
Center Configuration ◽  
Structural And Electronic Properties

First principle calculation is performed to investigate structural and electronic properties of strained silicene (silicon analogue of graphene) when absorbing the hydrogen sulfide molecule gas. Two configuration of silicene-H2S system, center and hollow configuration, is checked under 0% (pure), 5%, and 10% uniaxial engineering strain. We report that the silicene-H2S system in center configuration has larger binding energy compare to the silicene-H2S system in hollow configuration. The results show that H2S is physisorbed on silicene. In this work, we also find the change of band gap energy (~60 meV) is appearing when H2S interacted with silicene in center configuration, whereas the band gap energy of silicene has no change when interacted with H2S in hollow configuration.

TEMPERATURE-TUNED BAND GAP ENERGY AND OSCILLATOR PARAMETERS OF TlInSeS LAYERED SINGLE CRYSTALS

2008 ◽  
Vol 22 (22) ◽  
pp. 3931-3939 ◽  
Author(s):  
N. M. GASANLY ◽  
I. GULER
Keyword(s):  
Refractive Index ◽  
Band Gap ◽  
Band Gap Energy ◽  
Rate Of Change ◽  
Dispersion Parameters ◽  
Absorption Data ◽  
Gap Energy ◽  
Single Oscillator Model ◽  
Layered Crystals ◽  
Indirect Band Gap

The parameters of monoclinic unit cell of TlInSeS layered crystals were determined from X-ray powder diffraction study. The optical properties of TlInSeS have been investigated by means of transmission and reflection measurements in the wavelength range of 500–1100 nm. The optical indirect transitions with band gap energy of 2.05 eV and direct transitions with band gap energy of 2.21 eV were found by means of the analysis of the absorption data at room temperature. Transmission measurements carried out in the temperature range of 10–300 K revealed that the rate of change of the indirect band gap with temperature is γ = -4.7 × 10-4 eV/K. The dispersion of the refractive index is discussed in terms of the single oscillator model. The refractive index dispersion parameters: oscillator wavelength and strength were found to be 2.78 × 10-7 m and 1.21 × 1014 m -2, respectively.

scholarly journals Tl2S–In2S3–GeS2 Glass System as Novel Promising Materials for Photonics

2019 ◽  
Vol 20 (4) ◽  
pp. 416-422
Author(s):  
O.V. Tsisar ◽  
L.V. Piskach ◽  
O.V. Parasyuk ◽  
O.V. Zamurujeva ◽  
G.L. Myronchuk ◽  
...  
Keyword(s):  
Glass Transition ◽  
Optical Absorption ◽  
Band Gap ◽  
Structural Properties ◽  
Band Gap Energy ◽  
Optical Absorption Spectra ◽  
Characteristic Energy ◽  
Gap Energy ◽  
Glass Forming ◽  
Melting Temperatures

It was established that minimal content of the glass-forming component GeS2 is equal to 30 mol.% (by exploration the set of 23 different alloys with different composition). Correlation between structural properties, thermal parameters (glass transition, crystallization and melting temperatures) and optical absorption spectra along of the titled glasses system has been found. The temperatures, the band gap energy and the characteristic energy of vitreous alloys for the gastric system Tl2S‑In2S3‑GeS2 were investigated experimentally.

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