Simulation of planar Si/Mg 2 Si/Si p-i-n heterojunction solar cells for high efficiency

Deng, Quanrong; Wang, Zhuo; Wang, Shenggao; Shao, Guosheng

doi:10.1016/j.solener.2017.10.028

Cited by 33 publications

(19 citation statements)

References 25 publications

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“…In the end, the most convenient way of handling a problem such as the one found here may consist in developing larger supercells in the directions parallel to the desired interface which allow for a smaller overall strain, even if this implies a larger number of defects or unsatisfied bonds at the interface; this was performed for example in ref. [ 43 ]. Indeed, the contacting phases, especially if they are not present as ultrathin films, will manage to grow in such a way that their bandgaps are not disturbed much from the natural ones.…”

Section: Resultsmentioning

confidence: 99%

Computing with DFT Band Offsets at Semiconductor Interfaces: A Comparison of Two Methods

Conesa

2021

Nanomaterials

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Two DFT-based methods using hybrid functionals and plane-averaged profiles of the Hartree potential (individual slabs versus vacuum and alternating slabs of both materials), which are frequently used to predict or estimate the offset between bands at interfaces between two semiconductors, are analyzed in the present work. These methods are compared using several very different semiconductor pairs, and the conclusions about the advantages of each method are discussed. Overall, the alternating slabs method is recommended in those cases where epitaxial mismatch does not represent a significant problem.

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Section: Resultsmentioning

confidence: 99%

Computing with DFT Band Offsets at Semiconductor Interfaces: A Comparison of Two Methods

Conesa

2021

Nanomaterials

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“…The Au and Ag electrodes increase the film’s average absorption and forward scattering over a broad spectrum, thus significantly reducing its total reflection performance [ 13 , 14 ]. The optical and electrical material parameters for Mg 2 Si and Si used in the simulation are shown in Table 1 [ 15 , 16 , 17 , 18 ]. The cross-section of the Mg 2 Si/Si heterojunction PD is shown in Figure 2 .…”

Section: Methods and Modelmentioning

confidence: 99%

Technology CAD (TCAD) Simulations of Mg2Si/Si Heterojunction Photodetector Based on the Thickness Effect

Luo

et al. 2021

Sensors

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Research on infrared detectors has been widely reported in the literature. For infrared detectors, PbS, InGaAs, PbSe, InSb, and HgxCd1-xTe materials are the most widely used and have been explored for photodetection applications. However, these are toxic and harmful substances which are not conducive to the sustainable development of infrared detectors and are not eco-friendly. Mg2Si is a green, healthy, and sustainable semiconductor material that has the potential to replace these toxic and damaging photoelectric materials, making photoelectric detectors (PDs) green, healthy, and sustainable. In this work, we report on the results of our simulation studies on the PN junction Mg2Si/Si heterojunction PD. A model structure of Mg2Si/Si heterojunction PD has been built. The effects of Mg2Si and Si layer thickness on the optical and electrical performance of Mg2Si/Si heterojunction PD are discussed. For the purpose of this analysis, we consider electrical performance parameters such as I–V curve, external quantum efficiency (EQE), responsivity, noise equivalent power (NEP), detectivity, on-off ratio, response time, and recovery time. The simulation results show that the Mg2Si/Si heterojunction PD shows optimum performance when the thickness of Si and Mg2Si layers are 300 nm and 280 nm, respectively. For the optimized structure, the reverse breakdown voltage was found to be −23.61 V, the forward conduction voltage was 0.51 V, the dark current was 5.58 × 10−13 A, and the EQE was 88.98%. The responsivity was found to be 0.437 A/W, the NEP was 6.38 × 10−12 WHz1/2, and the detectivity was 1.567 × 1011 Jones. With the on-off ratio of 1566, the response time was found to be 0.76 ns and the recovery time was 5.75 ns. The EQE and responsivity peak wavelength of PD show a redshift as the thickness of Mg2Si increases. The Mg2Si heterojunction PD can effectively detect infrared light in the wavelength range of 400 to 1400 nm. The simulation results can be utilized to drive the development of green Mg2Si/Si heterojunction PD in the future.

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“…Crystals 2019, 9, x FOR PEER REVIEW 2 of 14 compounds. References [22][23][24] used the first principle to calculate the interface structure of Mg2Si and related compounds. Kessair [25] studied the structural characteristics of seven different types of Mg2Si and found that the thermoelectric potential of cubic CaF2 structure is very high, which may be the preferred material in thermoelectric applications.…”

Section: Methodsmentioning

confidence: 99%

First Principles Study on the Thermodynamic and Elastic Mechanical Stability of Mg2X (X = Si,Ge) Intermetallics with (anti) Vacancy Point Defects

et al. 2020

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In this paper, based on the density functional theory, through thermodynamic and mechanical stability criteria, the crystal cell model of intermetallic compounds with vacancy and anti-site point defects is constructed and the lattice constant, formation heat, binding energy, elastic constant, and elastic modulus of Mg2X (X = Si, Ge) intermetallics with or without point defects are calculated. The results show that the difference in the atomic radius leads to the instability and distortion of crystal cells with point defects; Mg2X are easier to form vacancy defects than anti-site defects on the X (X = Si, Ge) lattice site, and form anti-site defects on the Mg lattice site. Generally, the point defect is more likely to appear at the Mg position than at the Si or Ge position. Among the four kinds of point defects, the anti-site defect x M g is the easiest to form. The structure of intermetallics without defects is more stable than that with defects, and the structure of the intermetallics with point defects at the Mg position is more stable than that at the Si/Ge position. The anti-site and vacancy defects will reduce the material’s resistance to volume deformation shear strain, and positive elastic deformation, and increase the mechanical instability of the elastic deformation of the material. Compared with the anti-site point defect, the void point defect can lead to the mechanical instability of the transverse deformation of the material and improve the plasticity of the material. The research in this paper is helpful for the analysis of the mechanical stability of the elastic deformation of Mg2X (X = Si, Ge) intermetallics under the service condition that it is easy to produce vacancy and anti-site defects.

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Simulation of planar Si/Mg 2 Si/Si p-i-n heterojunction solar cells for high efficiency

Cited by 33 publications

References 25 publications

Computing with DFT Band Offsets at Semiconductor Interfaces: A Comparison of Two Methods

Computing with DFT Band Offsets at Semiconductor Interfaces: A Comparison of Two Methods

Technology CAD (TCAD) Simulations of Mg2Si/Si Heterojunction Photodetector Based on the Thickness Effect

First Principles Study on the Thermodynamic and Elastic Mechanical Stability of Mg2X (X = Si,Ge) Intermetallics with (anti) Vacancy Point Defects

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