First-principles identification of VI+Cui defect cluster in cuprous iodide: origin of red light photoluminescence

2022 ◽  
Author(s):  
Dingrong Liu ◽  
Zenghua Cai ◽  
Yu-Ning Wu ◽  
Shiyou Chen
Keyword(s):  
First Principles ◽  
Light Emission ◽  
Red Light ◽  
Defect Cluster ◽  
Intrinsic Point Defect ◽  
Long Wavelength ◽  
Type Semiconductor ◽  
Display Technology ◽  
Wavelength Emission ◽  
P Type

Abstract The γ-phase Cuprous Iodide (CuI) emerges as a promising transparent p-type semiconductor for next-generation display technology because of its wide direct band gap, intrinsic p-type conductivity, and high carrier mobility. Two main peaks are observed in its photoluminescence (PL). One is short wavelength (410-430 nm) emission, which is well attributed to the electronic transitions at Cu vacancy, whereas the other long wavelength emission (680-720 nm) has not been fully understood. In this paper, through first-principles simulations, we investigate the formation energies and emission line shape for various defects, and discover that the intrinsic point defect cluster V_I+Cu_i^(2+) is the source of the long wavelength emission. Our finding is further supported by the prediction that the defect concentration decreases dramatically as the chemical condition changes from Cu-rich to I-rich, explaining the significant reduction in the red light emission if CuI is annealed in abundant I environment.

Exploration on electronic and optical properties of two-dimensional GaN-doped with Be, Mg, Zn

2020 ◽  
Vol 34 (20) ◽  
pp. 2050195
Author(s):  
Gang Li ◽  
Lei Liu ◽  
Jian Tian
Keyword(s):  
Optical Properties ◽  
Band Structure ◽  
Density Of States ◽  
First Principles ◽  
High Energy ◽  
Low Energy ◽  
Two Dimensional ◽  
Electronic And Optical Properties ◽  
Type Semiconductor ◽  
P Type

To explore the variation on p-type-doped two-dimensional GaN, we calculate electronic and optical properties of buckled two-dimensional GaN-doped with p-type doping elements including Be, Mg and Zn atom by using first-principles. The results indicate that doping process of two-dimensional GaN after Be is most easily compared with Mg- and Zn-doped models. Band of doped two-dimensional GaN moves toward high energy end and it becomes a p-type semiconductor from the results of band structure and density of states, which may be caused by orbitals hybridization from dopants. Band gap and work function of doped two-dimensional GaN are both declined, which is beneficial for escape of electrons. Analysis of optical properties shows that they are sensitive and adjustable in doped two-dimensional GaN. Doping of Be, Mg and Zn atoms would have an important effect on optical characteristics of two-dimensional GaN at low-energy region.

scholarly journals Low Cost Fabrication of Si NWs/CuI Heterostructures

Nanomaterials ◽  
2018 ◽  
Vol 8 (8) ◽  
pp. 569 ◽  
Author(s):  
Maria Lo Faro ◽  
Antonio Leonardi ◽  
Dario Morganti ◽  
Barbara Fazio ◽  
Ciro Vasi ◽  
...  
Keyword(s):  
Silicon Nanowires ◽  
Light Emission ◽  
Low Cost ◽  
Dye Sensitized Solar Cells ◽  
Copper Iodide ◽  
Light Emitting ◽  
Junction Device ◽  
Type Semiconductor ◽  
P Type ◽  
Sensitized Solar Cells

In this paper, we present the realization by a low cost approach compatible with silicon technology of new nanostructures, characterized by the presence of different materials, such as copper iodide (CuI) and silicon nanowires (Si NWs). Silicon is the principal material of the microelectronics field for its low cost, easy manufacturing and market stability. In particular, Si NWs emerged in the literature as the key materials for modern nanodevices. Copper iodide is a direct wide bandgap p-type semiconductor used for several applications as a transparent hole conducting layers for dye-sensitized solar cells, light emitting diodes and for environmental purification. We demonstrated the preparation of a solid system in which Si NWs are embedded in CuI material and the structural, electrical and optical characterization is presented. These new combined Si NWs/CuI systems have strong potentiality to obtain new nanostructures characterized by different doping, that is strategic for the possibility to realize p-n junction device. Moreover, the combination of these different materials opens the route to obtain multifunction devices characterized by promising absorption, light emission, and electrical conduction.

Visible Electroluminescence from Pn Junction Type μc-Sic/ Porous Si / c-Si Structures

1992 ◽  
Vol 283 ◽  
Author(s):  
T. Futagi ◽  
T. Matsumoto ◽  
M. Katsuno ◽  
Y. Ohta ◽  
H. Mimura ◽  
...  
Keyword(s):  
Visible Light ◽  
Light Emission ◽  
Crystalline Silicon ◽  
Red Light ◽  
Si Substrate ◽  
Forward Current ◽  
Pn Junction ◽  
Silicon Carbon ◽  
P Type ◽  
Visible Light Emission

ABSTRACTWe have fabricated two kinds of n-type microcrystalline silicon carbon (μc-SiC) / porous silicon (PS) / p-type crystalline silicon (c-Si) pn junctions and demonstrated a visible light emission from them. We have observed three types of visible light emission; an uniform red light emission at a forward current above 12mA/cm2 for the pn junction using a 0.2–0.4 Qcm c-Si substrate, and a very weak white light emission at a forward current of about 90 mA/mm2 and a strong orange-red light emission at a forward current from 200 to 619 mA/mm2for the pn junction using a 3.5–4.5 Ωcm c-Si substrate.

Long-wavelength red light emission from TV and photosensitive seizures

2001 ◽  
Vol 103 (2) ◽  
pp. 114-119 ◽  
Author(s):  
Y. Takahashi ◽  
T. Ozawa ◽  
H. Nakamura ◽  
S. Yamada ◽  
H. Okamoto ◽  
...  
Keyword(s):  
Light Emission ◽  
Red Light ◽  
Long Wavelength

First-principles calculations of intrinsic defects in the p-type semiconductor CuAlO2

2010 ◽  
Vol 88 (12) ◽  
pp. 927-932 ◽  
Author(s):  
Dan Huang ◽  
Yuanming Pan
Keyword(s):  
First Principles ◽  
Defect Formation ◽  
First Principles Calculations ◽  
Image Charge ◽  
Intrinsic Defects ◽  
Type Conductivity ◽  
The Poor ◽  
Type Semiconductor ◽  
P Type ◽  
Formation Energies

Intrinsic defects, including vacancies at the Cu and Al sites (VCu and VAl), substitutional Cu at the Al site (CuAl), and interstitial O (Oi), have been proposed to be responsible for the p-type conductivity in CuAlO2. We have investigated the formation energies of these and other intrinsic defects in CuAlO2 using GGA+U calculations. Our results support previous studies that the potential alignment and image charge correction are required in the calculation of defect formation energies by using the supercell approach. In CuAlO2, these p-type defects (VCu, VAl, CuAl, and Oi) invariably have lower formation energies than their n-type counterparts. Particularly, VCu and CuAl have the lowest formation energies among intrinsic defects, and therefore are most likely responsible for the p-type conductivity. However, the transition levels of the VCu and CuAl defects are deep, which are responsible for the poor p-type conductivity in CuAlO2.

NP Heterojunction Porous Silicon Light-Emitting Diode

1991 ◽  
Vol 256 ◽  
Author(s):  
Nader M. Kalkhoran ◽  
F. Namavar ◽  
H. P. Maruska
Keyword(s):  
Porous Silicon ◽  
Indium Tin Oxide ◽  
Light Emission ◽  
Light Emitting Diode ◽  
Wide Bandgap ◽  
Heterojunction Diode ◽  
Light Emitting ◽  
Type Semiconductor ◽  
P Type ◽  
Bias Condition

ABSTRACTWe report the first demonstration of visible light emission from an all solid-state n-p heterojunction diode based on porous silicon. The p-type silicon was electrochemically etched in a hydrofluoric acid solution to form a porous silicon region; the n-p heterojunction diode was fabricated by depositing a wide bandgap n-type semiconductor, indium-tin-oxide (ITO), onto the surface of the porous silicon. With positive bias applied, electroluminescence was observed with a relatively narrow peak at about 580 nm. The device showed strong rectifying properties and no light emission was observed under reverse bias condition. Photoluminescence in the red, orange, yellow, and green was also observed in separate sample preparations.

Influence of solvent polarity on the dual fluorescence of p-N,N-dimethylaminobenzonitrile: An AM1 theoretical study

1990 ◽  
Vol 55 (8) ◽  
pp. 1891-1895 ◽  
Author(s):  
Peter Ertl
Keyword(s):  
Excited State ◽  
Theoretical Study ◽  
Solvent Polarity ◽  
Semiempirical Method ◽  
Dual Fluorescence ◽  
Long Wavelength ◽  
Polar Media ◽  
Wavelength Emission ◽  
Ground State Geometry ◽  
Influence Of Solvent

Twisting of the NMe2 group in p-N,N-dimethylaminobenzonitrile (DMABN) was investigated using AM1 semiempirical method with configuration interaction. Effect of polar media was considered by placing + and - charge centers ("sparkles") at appropriate places opposite the molecule. Optimized ground state geometry of DMABN is slightly twisted with the lowest vertical excited state of 1B character. As the polarity of media increases and/or the - NMe2 group twists, the symmetric 1A excited state having considerable charge separation becomes energetically favorable. Anomalous long-wavelength emission of DMABN comes from this state.

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