Shear-strain-induced structural and electronic modifications of the molecular crystal 1,1-diamino-2,2-dinitroethylene: Slip-plane flow and band gap relaxation

2007 ◽  
Vol 75 (10) ◽  
Author(s):  
Maija M. Kuklja ◽  
Sergey N. Rashkeev
Keyword(s):  
Shear Strain ◽  
Band Gap ◽  
Slip Plane ◽  
Molecular Crystal ◽  
Plane Flow

Selective growth of wide band gap atomically thin Sb2O3 inorganic molecular crystal on WS2

Nano Research ◽  
2019 ◽  
Vol 12 (11) ◽  
pp. 2781-2787 ◽  
Author(s):  
Guangzhuang Sun ◽  
Bo Li ◽  
Shifa Wang ◽  
Zhengwei Zhang ◽  
Jia Li ◽  
...  
Keyword(s):  
Band Gap ◽  
Molecular Crystal ◽  
Wide Band ◽  
Selective Growth ◽  
Wide Band Gap

scholarly journals Band structure engineering of borophane by first principles calculations

RSC Advances ◽  
2017 ◽  
Vol 7 (75) ◽  
pp. 47746-47752 ◽  
Author(s):  
Zhi-Qiang Wang ◽  
Tie-Yu Lü ◽  
Hui-Qiong Wang ◽  
Yuan Ping Feng ◽  
Jin-Cheng Zheng
Keyword(s):  
Band Structure ◽  
Shear Strain ◽  
Band Gap ◽  
First Principles ◽  
First Principles Calculations ◽  
Structure Engineering

Applying shear strain is an effective approach to open the band gap for W- and C-borophane.

TEM and cathodoluminescence of precipitates in II-VI semiconductors

1988 ◽  
Vol 46 ◽  
pp. 488-489
Author(s):  
Joanna L. Batstone
Keyword(s):  
Crystal Growth ◽  
Band Gap ◽  
Local Strain ◽  
Wide Band ◽  
Optoelectronic Device ◽  
Wide Band Gap ◽  
Bulk Crystal Growth ◽  
Transmission Electron ◽  
Device Applications ◽  
Stoichiometry Control

Interest in II-VI semiconductors centres around optoelectronic device applications. The wide band gap II-VI semiconductors such as ZnS, ZnSe and ZnTe have been used in lasers and electroluminescent displays yielding room temperature blue luminescence. The narrow gap II-VI semiconductors such as CdTe and HgxCd1-x Te are currently used for infrared detectors, where the band gap can be varied continuously by changing the alloy composition x.Two major sources of precipitation can be identified in II-VI materials; (i) dopant introduction leading to local variations in concentration and subsequent precipitation and (ii) Te precipitation in ZnTe, CdTe and HgCdTe due to native point defects which arise from problems associated with stoichiometry control during crystal growth. Precipitation is observed in both bulk crystal growth and epitaxial growth and is frequently associated with segregation and precipitation at dislocations and grain boundaries. Precipitation has been observed using transmission electron microscopy (TEM) which is sensitive to local strain fields around inclusions.

Structural properties of GaAs/InGaAs/GaAs (001) and InGaAs/GaAs (001) heterostructures and correlation with electronic properties

1990 ◽  
Vol 48 (4) ◽  
pp. 602-603
Author(s):  
J.M. Bonar ◽  
R. Hull ◽  
R. Malik ◽  
R. Ryan ◽  
J.F. Walker
Keyword(s):  
Band Gap ◽  
Electronic Properties ◽  
Gaas Substrate ◽  
Critical Thickness ◽  
Lattice Mismatch ◽  
Band Offset ◽  
Misfit Dislocations ◽  
Gaas Substrates ◽  
Gaas Structure ◽  
Low X

In this study we have examined a series of strained heteropeitaxial GaAs/InGaAs/GaAs and InGaAs/GaAs structures, both on (001) GaAs substrates. These heterostructures are potentially very interesting from a device standpoint because of improved band gap properties (InAs has a much smaller band gap than GaAs so there is a large band offset at the InGaAs/GaAs interface), and because of the much higher mobility of InAs. However, there is a 7.2% lattice mismatch between InAs and GaAs, so an InxGa1-xAs layer in a GaAs structure with even relatively low x will have a large amount of strain, and misfit dislocations are expected to form above some critical thickness. We attempt here to correlate the effect of misfit dislocations on the electronic properties of this material.The samples we examined consisted of 200Å InxGa1-xAs layered in a hetero-junction bipolar transistor (HBT) structure (InxGa1-xAs on top of a (001) GaAs buffer, followed by more GaAs, then a layer of AlGaAs and a GaAs cap), and a series consisting of a 200Å layer of InxGa1-xAs on a (001) GaAs substrate.

Advancing the use of Voronoi–Dirichlet polyhedra to describe interactions in organic molecular crystal structures by the example of galunisertib polymorphs

CrystEngComm ◽  
2021 ◽  
Author(s):  
Viktor N. Serezhkin ◽  
Anton V. Savchenkov
Keyword(s):  
Crystal Structures ◽  
Molecular Crystal ◽  
Noncovalent Interactions ◽  
Organic Molecular Crystal ◽  
Universal Approach ◽  
Structure Properties

The universal approach for studying structure/properties relationships shows that every polymorph of galunisertib is characterized with unique noncovalent interactions.

Modification of optical properties of PC-PBT/Cr2O3 and PC-PBT/CdS nanocomposites by gamma irradiation

2020 ◽  
Vol 92 (2) ◽  
pp. 20402
Author(s):  
Kaoutar Benthami ◽  
Mai ME. Barakat ◽  
Samir A. Nouh
Keyword(s):  
Refractive Index ◽  
Optical Properties ◽  
Band Gap ◽  
Color Difference ◽  
Band Gap Energy ◽  
Polybutylene Terephthalate ◽  
Γ Irradiation ◽  
Gap Energy ◽  
Vis Spectroscopy ◽  
Oxygen Atoms

Nanocomposite (NCP) films of polycarbonate-polybutylene terephthalate (PC-PBT) blend as a host material to Cr2O3 and CdS nanoparticles (NPs) were fabricated by both thermolysis and casting techniques. Samples from the PC-PBT/Cr2O3 and PC-PBT/CdS NCPs were irradiated using different doses (20–110 kGy) of γ radiation. The induced modifications in the optical properties of the γ irradiated NCPs have been studied as a function of γ dose using UV Vis spectroscopy and CIE color difference method. Optical dielectric loss and Tauc's model were used to estimate the optical band gaps of the NCP films and to identify the types of electronic transition. The value of optical band gap energy of PC-PBT/Cr2O3 NCP was reduced from 3.23 to 3.06 upon γ irradiation up to 110 kGy, while it decreased from 4.26 to 4.14 eV for PC-PBT/CdS NCP, indicating the growth of disordered phase in both NCPs. This was accompanied by a rise in the refractive index for both the PC-PBT/Cr2O3 and PC-PBT/CdS NCP films, leading to an enhancement in their isotropic nature. The Cr2O3 NPs were found to be more effective in changing the band gap energy and refractive index due to the presence of excess oxygen atoms that help with the oxygen atoms of the carbonyl group in increasing the chance of covalent bonds formation between the NPs and the PC-PBT blend. Moreover, the color intensity, ΔE has been computed; results show that both the two synthesized NCPs have a response to color alteration by γ irradiation, but the PC-PBT/Cr2O3 has a more response since the values of ΔE achieved a significant color difference >5 which is an acceptable match in commercial reproduction on printing presses. According to the resulting enhancement in the optical characteristics of the developed NCPs, they can be a suitable candidate as activate materials in optoelectronic devices, or shielding sheets for solar cells.

DISORDER INDUCED DENSITY OF STATES WITHIN THE BAND GAP

1981 ◽  
Vol 42 (C4) ◽  
pp. C4-59-C4-62
Author(s):  
H. Leschke ◽  
B. Kramer
Keyword(s):  
Band Gap ◽  
Density Of States
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