Pub Date : 2023-04-01DOI: 10.15251/cl.2023.204.277
R. Daira, B. Boudjema, A. Mohammedi
In this work, CuO thin films about the synthesis of the thin films are prepared on glass substrate using spray pyrolysis technique at room temperature different annealing times in temperature 450 0 C.In order to study the effect of annealing times onthe structural, optical and electrical properties.XRD analysis has shown that films with a polycrystalline structurehave a(Monoclinic) structure.In addition, the crystallite phase CuO increases with increasing of annealing temperature.Moreover, with a preferred orientation along (002) peak.The optical properties confirmed that the elaborated films have a transmittance of 70%. We have found that the band gap energy (Eg) is a decreasing function with respect to the annealing temperature time. In addition, the electrical resistivity varies from 18.97 to 4.58 KOhm.cm for the films grown at different annealing times.
{"title":"Structural, optical and electrical properties of CuO thin films deposited by spray pyrolysis technique: influence annealing process","authors":"R. Daira, B. Boudjema, A. Mohammedi","doi":"10.15251/cl.2023.204.277","DOIUrl":"https://doi.org/10.15251/cl.2023.204.277","url":null,"abstract":"In this work, CuO thin films about the synthesis of the thin films are prepared on glass substrate using spray pyrolysis technique at room temperature different annealing times in temperature 450 0 C.In order to study the effect of annealing times onthe structural, optical and electrical properties.XRD analysis has shown that films with a polycrystalline structurehave a(Monoclinic) structure.In addition, the crystallite phase CuO increases with increasing of annealing temperature.Moreover, with a preferred orientation along (002) peak.The optical properties confirmed that the elaborated films have a transmittance of 70%. We have found that the band gap energy (Eg) is a decreasing function with respect to the annealing temperature time. In addition, the electrical resistivity varies from 18.97 to 4.58 KOhm.cm for the films grown at different annealing times.","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48119922","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-04-01DOI: 10.15251/cl.2023.204.243
A. Talhi, B. Azeddine, Z. Tiouti, M. Rajczyk
The method for producing power by integrating a beta source to semiconductors junction’s devices is called as betavoltaic energy conversion. [1]. In this study by using Monte Carlo (MC) method to simulate the distribution of electron- hole pairs (EHP) generated at each point in the cell under bombardment of 63Ni source for betavoltaic cell then the result of that Monte Carlo simulation will be used in the modelling and simulation of a betavoltaic cell CdS/CdTe heterojunction and their characteristics.
{"title":"Modelling and simulation of PN junction CdS/CdTe for betavoltaic cell","authors":"A. Talhi, B. Azeddine, Z. Tiouti, M. Rajczyk","doi":"10.15251/cl.2023.204.243","DOIUrl":"https://doi.org/10.15251/cl.2023.204.243","url":null,"abstract":"The method for producing power by integrating a beta source to semiconductors junction’s devices is called as betavoltaic energy conversion. [1]. In this study by using Monte Carlo (MC) method to simulate the distribution of electron- hole pairs (EHP) generated at each point in the cell under bombardment of 63Ni source for betavoltaic cell then the result of that Monte Carlo simulation will be used in the modelling and simulation of a betavoltaic cell CdS/CdTe heterojunction and their characteristics.","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41771353","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-04-01DOI: 10.15251/cl.2023.204.293
S. Alias, M. Z. Mohd Yusoff, M. Yahya
The purpose of the study is to determine the best technique for etching ZnO thin films. ZnO is deposited on the glass substrate using a radio frequency sputtering equipment. To etch the ZnO thin film, hydrogen peroxide (H2O2) concentrations of 10%, 20%, and 30% are utilised, with etching times of 30 and 60 seconds. The optical band gap is lowered after a specific quantity of etching, which shows that the film's crystallinity quality has improved. The impact of various ZnO thicknesses on the sample's optical properties is investigated using OPAL 2 simulator. In comparison to other ZnO layers of varied thickness, the OPAL 2 simulation shows that the 400 nm ZnO layer has the lowest transmission in the UV wavelength range.
{"title":"The effects of etching time and hydrogen peroxide concentration on the ZnO/glass substrate","authors":"S. Alias, M. Z. Mohd Yusoff, M. Yahya","doi":"10.15251/cl.2023.204.293","DOIUrl":"https://doi.org/10.15251/cl.2023.204.293","url":null,"abstract":"The purpose of the study is to determine the best technique for etching ZnO thin films. ZnO is deposited on the glass substrate using a radio frequency sputtering equipment. To etch the ZnO thin film, hydrogen peroxide (H2O2) concentrations of 10%, 20%, and 30% are utilised, with etching times of 30 and 60 seconds. The optical band gap is lowered after a specific quantity of etching, which shows that the film's crystallinity quality has improved. The impact of various ZnO thicknesses on the sample's optical properties is investigated using OPAL 2 simulator. In comparison to other ZnO layers of varied thickness, the OPAL 2 simulation shows that the 400 nm ZnO layer has the lowest transmission in the UV wavelength range.","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":"1 1","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"67024788","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-04-01DOI: 10.15251/cl.2023.204.261
A. A. Hassan, S. Y. Al-Nami, H. A. Alrafai, E. Al-Amery, E. R. Shaaban, A. Qasem
The characteristics of a single solar cell made by CdS thin film deposition on a silicon glass substrate were estimated using simulation models in this study. An aluminum electrode was attached to a silicon wafer to produce a heterojunction, and the indium fingers were fashioned into another electrode and connected directly to the CdS layer. Simulation steps were performed using PV*SOL 3.0 software package and bias points (ISC, VOC ) models. In addition to the use of advanced programs such as MATLAB software (Shell SQ150 PV module), Mathcad 2000 program, and Origin Lab 2019 program.Simulation programs for extracting photovoltaic parameters have been executed together with the laboratory procedures. The simulation programs and experimental procedures aimed in general to know the (current-voltage) and (power-voltage) characteristics of the studied single-diode photovoltaic.
{"title":"Exceptional and innovational analysis of n-CdS/p-Si solar cells based on software packages and bias point models: insights into theoretical and experimental characteristics of fabricated solar cells","authors":"A. A. Hassan, S. Y. Al-Nami, H. A. Alrafai, E. Al-Amery, E. R. Shaaban, A. Qasem","doi":"10.15251/cl.2023.204.261","DOIUrl":"https://doi.org/10.15251/cl.2023.204.261","url":null,"abstract":"The characteristics of a single solar cell made by CdS thin film deposition on a silicon glass substrate were estimated using simulation models in this study. An aluminum electrode was attached to a silicon wafer to produce a heterojunction, and the indium fingers were fashioned into another electrode and connected directly to the CdS layer. Simulation steps were performed using PV*SOL 3.0 software package and bias points (ISC, VOC ) models. In addition to the use of advanced programs such as MATLAB software (Shell SQ150 PV module), Mathcad 2000 program, and Origin Lab 2019 program.Simulation programs for extracting photovoltaic parameters have been executed together with the laboratory procedures. The simulation programs and experimental procedures aimed in general to know the (current-voltage) and (power-voltage) characteristics of the studied single-diode photovoltaic.","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43998301","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-04-01DOI: 10.15251/cl.2023.204.254
R. Ranjan, C. Negi, K. P. Tiwary
Photocatalytic degradation of methyl red dye using Mn(5%) doped CdS nanoparticles was studied.Mn doped CdS nanoparticles was synthesized by microwave assisted solvo thermal method where the chemicals used wereCadmium Acetate [(CH3COO)2Cd, H2O], Manganese Chloride [MnCl2.2H2O] and Sodium Sulfide [Na2S.xH2O]. X-Ray diffraction(XRD) analysis was carried out in order to analyze the structural dimensions of the synthesized nanoparticles and the average crystallite size has been calculated at the full width half maximum (FWHM) of the diffraction peaks using Debye-Scherer equation and it was found to be around2.3nm. FTIR spectra analysis was done in order to analyze different functional and vibrational groups present in the as synthesized sample of Mn doped CdSnanoparticles.The morphology of sample wasstudied by scanning electron microscope. The aqueous solution of methyl red[C15H15N3O2] has been prepared and was mixed with the as synthesized Mn doped CdSnanoparticles and was exposed for photocatalytic degradation using 100 W bulb. UV-visible spectra of the light irradiated methyl red solutions were studied at different interval of time and no red shift was observed with increase of exposure time. The intensity of the absorption peak was also found to be reduced with the increasing time interval. The photo degradation of methyl red dye was observed up to 90% at the exposure time of 90 minutes.
{"title":"Synthesis of Mn2+modified CdS nanoparticles and its application as catalyst in photodegradation of methyl red dye","authors":"R. Ranjan, C. Negi, K. P. Tiwary","doi":"10.15251/cl.2023.204.254","DOIUrl":"https://doi.org/10.15251/cl.2023.204.254","url":null,"abstract":"Photocatalytic degradation of methyl red dye using Mn(5%) doped CdS nanoparticles was studied.Mn doped CdS nanoparticles was synthesized by microwave assisted solvo thermal method where the chemicals used wereCadmium Acetate [(CH3COO)2Cd, H2O], Manganese Chloride [MnCl2.2H2O] and Sodium Sulfide [Na2S.xH2O]. X-Ray diffraction(XRD) analysis was carried out in order to analyze the structural dimensions of the synthesized nanoparticles and the average crystallite size has been calculated at the full width half maximum (FWHM) of the diffraction peaks using Debye-Scherer equation and it was found to be around2.3nm. FTIR spectra analysis was done in order to analyze different functional and vibrational groups present in the as synthesized sample of Mn doped CdSnanoparticles.The morphology of sample wasstudied by scanning electron microscope. The aqueous solution of methyl red[C15H15N3O2] has been prepared and was mixed with the as synthesized Mn doped CdSnanoparticles and was exposed for photocatalytic degradation using 100 W bulb. UV-visible spectra of the light irradiated methyl red solutions were studied at different interval of time and no red shift was observed with increase of exposure time. The intensity of the absorption peak was also found to be reduced with the increasing time interval. The photo degradation of methyl red dye was observed up to 90% at the exposure time of 90 minutes.","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45476375","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-04-01DOI: 10.15251/cl.2023.204.235
V. Edilashvili, Y. Blagidze, O. Gogolin, E. Tsitsishvili
Thermally stimulated luminescence of the X-ray irradiated CdSSe-doped borosilicate glases have been studied. The two well defined temperarure maxima discovered for total thermoluminescence intensity, as well as the thermoluminescence dependence on the nanocrystal size and X-ray dose are discussed.
{"title":"Thermoluminescence peculiarities of CdS1−xSex–doped borosilicate glasses","authors":"V. Edilashvili, Y. Blagidze, O. Gogolin, E. Tsitsishvili","doi":"10.15251/cl.2023.204.235","DOIUrl":"https://doi.org/10.15251/cl.2023.204.235","url":null,"abstract":"Thermally stimulated luminescence of the X-ray irradiated CdSSe-doped borosilicate glases have been studied. The two well defined temperarure maxima discovered for total thermoluminescence intensity, as well as the thermoluminescence dependence on the nanocrystal size and X-ray dose are discussed.","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45743781","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-04-01DOI: 10.15251/cl.2023.204.285
A. F. Gochuyeva, Kh. Kh. Hashimov, I. Y. Bayramov
The photoelectret effect in composite heterostructures consisting of polar (fluorinecontaining) and non-polar (polyolefins) polymers - high density polyethylene (HDPE), low density polyethylene (LDPE), F42, F2-ME and the inorganic phase AııBvı (CdS, ZnS) has been studied. It has been established that the difference in photoelectret potentials in a given volume share of the inorganic phase mainly depends on the polarity of the polymer matrix. A possible mechanism of the photoelectret effect formed under the combined action of a strong electric field and light in these composites. It has been experimentally established that the potential barrier formed at the polymer- AııBvı semiconductor interface separates the electric charge carriers formed as a result of the internal photoelectric effect and ensures the formation of an electret potential difference. The electret charge state of polymer- AııBvı composites was studied using the spectrum of thermally stimulated current.
{"title":"Photoelectret effect in polymer-AIIBVI (CdS, ZnS) composites of photosensitive semiconductors","authors":"A. F. Gochuyeva, Kh. Kh. Hashimov, I. Y. Bayramov","doi":"10.15251/cl.2023.204.285","DOIUrl":"https://doi.org/10.15251/cl.2023.204.285","url":null,"abstract":"The photoelectret effect in composite heterostructures consisting of polar (fluorinecontaining) and non-polar (polyolefins) polymers - high density polyethylene (HDPE), low density polyethylene (LDPE), F42, F2-ME and the inorganic phase AııBvı (CdS, ZnS) has been studied. It has been established that the difference in photoelectret potentials in a given volume share of the inorganic phase mainly depends on the polarity of the polymer matrix. A possible mechanism of the photoelectret effect formed under the combined action of a strong electric field and light in these composites. It has been experimentally established that the potential barrier formed at the polymer- AııBvı semiconductor interface separates the electric charge carriers formed as a result of the internal photoelectric effect and ensures the formation of an electret potential difference. The electret charge state of polymer- AııBvı composites was studied using the spectrum of thermally stimulated current.","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47192431","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-03-01DOI: 10.15251/cl.2023.203.187
R. Ali, H. S. Rasheed, N. Abdulameer, N. Habubi, S. Chiad
Chemical spray pyrolysis (CSP) was utilized to create pure Zinc Sulfide (ZnS) and magnesium (Mg) doped thin films on a clean glass substrate at a temperature equal to 400°C. X-ray diffraction test revealed a cubic wurtzite crystal structure with average crystallite sizes of 10.99 and 12.27 nm for ZnS and ZnS: Mg, respectively. XRD analysis of the doped films revealed a polycrystalline structure with a predominant peak along the (220) plane and additional peaks along the (111), (200), and (222) planes. The grain size raised from 10.99 to 12.27 nm as a result of the XRD patterns. The increase in Mg content from 0% to 3%, affect the bandgap that fell from 3.52 to 3.42 eV. As the Mg content increased, the transmittance and refractive index of the films was lowered.
{"title":"Physical properties of Mg doped ZnS thin films via spray pyrolysis","authors":"R. Ali, H. S. Rasheed, N. Abdulameer, N. Habubi, S. Chiad","doi":"10.15251/cl.2023.203.187","DOIUrl":"https://doi.org/10.15251/cl.2023.203.187","url":null,"abstract":"Chemical spray pyrolysis (CSP) was utilized to create pure Zinc Sulfide (ZnS) and magnesium (Mg) doped thin films on a clean glass substrate at a temperature equal to 400°C. X-ray diffraction test revealed a cubic wurtzite crystal structure with average crystallite sizes of 10.99 and 12.27 nm for ZnS and ZnS: Mg, respectively. XRD analysis of the doped films revealed a polycrystalline structure with a predominant peak along the (220) plane and additional peaks along the (111), (200), and (222) planes. The grain size raised from 10.99 to 12.27 nm as a result of the XRD patterns. The increase in Mg content from 0% to 3%, affect the bandgap that fell from 3.52 to 3.42 eV. As the Mg content increased, the transmittance and refractive index of the films was lowered.","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47914738","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-03-01DOI: 10.15251/cl.2023.203.197
H. M. Ali, I. Khudayer
Chemical spray pyrolysis (CSP) was utilized to create pure Zinc Sulfide (ZnS) and magnesium (Mg) doped thin films on a clean glass substrate at a temperature equal to 400°C. X-ray diffraction test revealed a cubic wurtzite crystal structure with average crystallite sizes of 10.99 and 12.27 nm for ZnS and ZnS: Mg, respectively. XRD analysis of the doped films revealed a polycrystalline structure with a predominant peak along the (220) plane and additional peaks along the (111), (200), and (222) planes. The grain size raised from 10.99 to 12.27 nm as a result of the XRD patterns. The increase in Mg content from 0% to 3%, affect the bandgap that fell from 3.52 to 3.42 eV. As the Mg content increased, the transmittance and refractive index of the films was lowered.
{"title":"Preparation and analysis of Ag2Se1-xTex thin film structure on the physical properties at various temperatures by thermal evaporation","authors":"H. M. Ali, I. Khudayer","doi":"10.15251/cl.2023.203.197","DOIUrl":"https://doi.org/10.15251/cl.2023.203.197","url":null,"abstract":"Chemical spray pyrolysis (CSP) was utilized to create pure Zinc Sulfide (ZnS) and magnesium (Mg) doped thin films on a clean glass substrate at a temperature equal to 400°C. X-ray diffraction test revealed a cubic wurtzite crystal structure with average crystallite sizes of 10.99 and 12.27 nm for ZnS and ZnS: Mg, respectively. XRD analysis of the doped films revealed a polycrystalline structure with a predominant peak along the (220) plane and additional peaks along the (111), (200), and (222) planes. The grain size raised from 10.99 to 12.27 nm as a result of the XRD patterns. The increase in Mg content from 0% to 3%, affect the bandgap that fell from 3.52 to 3.42 eV. As the Mg content increased, the transmittance and refractive index of the films was lowered.","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43866132","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-03-01DOI: 10.15251/cl.2023.203.215
J. Geng, J. Wu
First-principles method is performed to investigate the structural, electronic, elastic and mechanical characteristics of the tetragonal CuAlS2 in the pressure range from 0 to 10 GPa. The results indicated that both the lattice constant and cell volume decrease with the increase of pressure, which are matched well with available previous values. The pressure has a more significant influence on the c direction than the a and b direction. The obtained elastic constants reveal the tetragonal CuAlS2 is mechanically stable between 0 and 10 GPa. The bulk, shear, and Young’s modulus are evaluated by Voigt-Reuss-Hill approximation. All these elastic moduli exhibit a monotonic feature as a function of pressure. The Poisson’s ratio, Pugh’s criterion, and Cauchy pressure indicate that ternary chalcopyrite semiconductor CuAlS2 is ductile against pressure. Meanwhile, the analysis of the electronic structures reveals that the states near the valence band top are derived from Cu 3d and S 3p orbitals, and the lowest conduction band is composed of Al 3p and S 3p orbitals. We expect that the findings predicted the physical properties of this compound will promote future experimental studies on CuAlS2.
{"title":"Effects of pressure on structural, mechanical, and electronic properties of chalcopyrite compound CuAlS2","authors":"J. Geng, J. Wu","doi":"10.15251/cl.2023.203.215","DOIUrl":"https://doi.org/10.15251/cl.2023.203.215","url":null,"abstract":"First-principles method is performed to investigate the structural, electronic, elastic and mechanical characteristics of the tetragonal CuAlS2 in the pressure range from 0 to 10 GPa. The results indicated that both the lattice constant and cell volume decrease with the increase of pressure, which are matched well with available previous values. The pressure has a more significant influence on the c direction than the a and b direction. The obtained elastic constants reveal the tetragonal CuAlS2 is mechanically stable between 0 and 10 GPa. The bulk, shear, and Young’s modulus are evaluated by Voigt-Reuss-Hill approximation. All these elastic moduli exhibit a monotonic feature as a function of pressure. The Poisson’s ratio, Pugh’s criterion, and Cauchy pressure indicate that ternary chalcopyrite semiconductor CuAlS2 is ductile against pressure. Meanwhile, the analysis of the electronic structures reveals that the states near the valence band top are derived from Cu 3d and S 3p orbitals, and the lowest conduction band is composed of Al 3p and S 3p orbitals. We expect that the findings predicted the physical properties of this compound will promote future experimental studies on CuAlS2.","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43112347","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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