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Influence of air annealing temperature on physical properties of MgF2 -treated CdSe thin films: phase transition and grain growth 空气退火温度对MgF2处理的CdSe薄膜物理性能的影响:相变和晶粒生长
IF 1.6 4区 材料科学
Phase Transitions Pub Date : 2022-12-21 DOI: 10.1080/01411594.2022.2153048
Suman Kumari, G. Chasta, Himanshu, N. Kumari, M. Dhaka
{"title":"Influence of air annealing temperature on physical properties of MgF2 -treated CdSe thin films: phase transition and grain growth","authors":"Suman Kumari, G. Chasta, Himanshu, N. Kumari, M. Dhaka","doi":"10.1080/01411594.2022.2153048","DOIUrl":"https://doi.org/10.1080/01411594.2022.2153048","url":null,"abstract":"ABSTRACT In the present study, as a replacement for venomous CdCl2 compound, MgF2 activation is undertaken to explore the impact of ionic radii of halide on grain growth and physical properties of physical vapor-deposited CdSe films for absorber layer roles to solar cells. The MgF2 activation is performed at 200°C, 300°C and 400°C. The XRD analysis shows that as-deposited CdSe films are polycrystalline in nature having mixed phases of cubic and hexagonal and phase transformation from (111)C to (103)H is observed for treated films. The energy band gap is varied in the 1.65–1.71 eV range and a stronger NBE PL peak is observed at ∼675 nm. The AFM analysis reveals hillock like topography, where hills height and distribution are varied with activation. The CdSe films activated by MgF2 at 200°C could become potential absorber layers to solar cells due to their higher roughness, grain growth, absorbance and appropriate electrical properties.","PeriodicalId":19881,"journal":{"name":"Phase Transitions","volume":"96 1","pages":"16 - 28"},"PeriodicalIF":1.6,"publicationDate":"2022-12-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46569064","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}
引用次数: 2
Ab initio study of pressure dependence of the structural, elastic and thermodynamic properties of AlXY3 (X = B, C) AlXY3 (X = B, C)结构、弹性和热力学性质压力依赖性的从头算研究
IF 1.6 4区 材料科学
Phase Transitions Pub Date : 2022-12-06 DOI: 10.1080/01411594.2022.2154208
Missoum Radjai, A. Bouhemadou, S. Bin-Omran
{"title":"Ab initio study of pressure dependence of the structural, elastic and thermodynamic properties of AlXY3 (X = B, C)","authors":"Missoum Radjai, A. Bouhemadou, S. Bin-Omran","doi":"10.1080/01411594.2022.2154208","DOIUrl":"https://doi.org/10.1080/01411594.2022.2154208","url":null,"abstract":"ABSTRACT We have investigated the pressure dependence of the structural, elastic and thermodynamic properties of the ternary AlXY3 (X = B, C) compounds through the ab initio pseudopotential plane wave method within the general gradient approximation developed especially for solids. The optimized lattice parameters are in good agreement with the available experimental and theoretical counterparts. Analysis of the monocrystalline elastic constants predicted through the strain–stress technique shows that the studied materials are mechanically stable with strong elastic anisotropy. The calculated polycrystalline moduli highlight that the title compounds exhibit a moderate resistant to external deformations, AlBC3 is in the border between ductility and brittleness and AlCY3 is brittle. The quasi-harmonic Debye model was used to explore the temperature and pressure dependencies of the lattice parameter, bulk modulus, isochore and isobar heat capacities, volume thermal expansion coefficient and Debye temperature.","PeriodicalId":19881,"journal":{"name":"Phase Transitions","volume":"96 1","pages":"1 - 15"},"PeriodicalIF":1.6,"publicationDate":"2022-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43352183","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}
引用次数: 2
Thermodynamic assessment of the Mg-Ni-Gd system with a general model description the long-period stacking ordered phases 用描述长周期堆积有序相的一般模型对Mg-Ni-Gd体系进行热力学评价
IF 1.6 4区 材料科学
Phase Transitions Pub Date : 2022-12-06 DOI: 10.1080/01411594.2022.2153049
Chenguang Yang, Jiadong Wang, Liqin Wu, Qiuyu Zeng, Liwei Zhang
{"title":"Thermodynamic assessment of the Mg-Ni-Gd system with a general model description the long-period stacking ordered phases","authors":"Chenguang Yang, Jiadong Wang, Liqin Wu, Qiuyu Zeng, Liwei Zhang","doi":"10.1080/01411594.2022.2153049","DOIUrl":"https://doi.org/10.1080/01411594.2022.2153049","url":null,"abstract":"ABSTRACT The phase equilibria of the Mg-Ni-Gd ternary system were thermodynamically assessed by the CALPHAD (CALculation of PHAse Diagrams) method based on the thermodynamic descriptions of the constitutive binary systems and experimental phase equilibria data available in the literature. The substitutional model and sublattice model were employed to describe the solution phases and intermediate phases, respectively. The ternary phases τ1-τ6 were described as stoichiometric compound and the long-period stacking ordered phase 14H and 18R were described Mgx(TM, Mg)6(RE, Mg)8 model (TM = Transition Metal, RE = Rare Earth). A set of self-consistent thermodynamic parameters of the Mg-Ni-Gd system was obtained. Some representative isothermal section, liquidus projections and the related invariant reactions were calculated. Comparisons between the calculated results and experimental data show that almost all the reliable experimental data were satisfactorily reproduced by the present modeling. The reaction scheme for the whole ternary system is also presented.","PeriodicalId":19881,"journal":{"name":"Phase Transitions","volume":"96 1","pages":"29 - 42"},"PeriodicalIF":1.6,"publicationDate":"2022-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42063899","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}
引用次数: 0
New series of fluorinated hydrogen-bonded liquid crystals with SmB and nematic phases SmB向列相含氟氢键液晶新系列
IF 1.6 4区 材料科学
Phase Transitions Pub Date : 2022-11-19 DOI: 10.1080/01411594.2022.2146503
Moez Sahli, Ines Gharbi, H. Ayeb, A. Guesmi, N. B. Hamadi, T. Soltani
{"title":"New series of fluorinated hydrogen-bonded liquid crystals with SmB and nematic phases","authors":"Moez Sahli, Ines Gharbi, H. Ayeb, A. Guesmi, N. B. Hamadi, T. Soltani","doi":"10.1080/01411594.2022.2146503","DOIUrl":"https://doi.org/10.1080/01411594.2022.2146503","url":null,"abstract":"ABSTRACT A new series of hydrogen-bonded liquid crystals was prepared by mixing 4-n-alkoxy-2.3-difluorobenzoic acid and 4-pentyl-4-biphenylcarbonitrile (5CB). Thermal and liquid crystal behaviour was established using differential scanning calorimetry and polarizing optical microscopy. The influence of terminal acid donors on mesogenic behaviour was discussed in detail. It was found that all complexes with a (1:1) molar ratio exhibit the smectic B phase. In addition, the binary phase diagram that has been established revealed that the mixtures with lower concentration exhibit a nematic phase at room temperature with large stability. Dielectric, electro-optic and viscoelastic properties of 5CB/9OBAFF with molar fraction x = 0.1 were discussed.","PeriodicalId":19881,"journal":{"name":"Phase Transitions","volume":"96 1","pages":"66 - 76"},"PeriodicalIF":1.6,"publicationDate":"2022-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46195070","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}
引用次数: 0
BaTiO3 induced modification on the dielectric, ferroelectric and electrical conductivity properties of Pb(Fe0.5Nb0.5)O3-BaTiO3 solid solution BaTiO3对Pb(Fe0.5Nb0.5)O3-BaTiO3固溶体介电性能、铁电性能和电导率的影响
IF 1.6 4区 材料科学
Phase Transitions Pub Date : 2022-11-14 DOI: 10.1080/01411594.2022.2138757
Geetanjali Biswal, Krishnamayee Bhoi, D. Pradhan, B. Behera, P. Das
{"title":"BaTiO3 induced modification on the dielectric, ferroelectric and electrical conductivity properties of Pb(Fe0.5Nb0.5)O3-BaTiO3 solid solution","authors":"Geetanjali Biswal, Krishnamayee Bhoi, D. Pradhan, B. Behera, P. Das","doi":"10.1080/01411594.2022.2138757","DOIUrl":"https://doi.org/10.1080/01411594.2022.2138757","url":null,"abstract":"ABSTRACT In this report, we have investigated the effect of BaTiO3 on the preliminary structural analysis, ferroelectric phase transition and electrical properties of 0.05, and 0.1) solid solutions. Conventional solid-state reaction technique is adopted to synthesize solid solution. X-ray diffraction (XRD) analysis is used to study the preliminary structural analysis, which suggests the formation of the single-phase materials. The surface morphology is studied using field emission scanning electron microscope (FESEM). The temperature-dependent dielectric properties display a broad diffuse phase transition from ferroelectric to paraelectric state and the phase transition temperature was found to be decreased with an increase in BT concentrations. Ferroelectric property of the solid solutions is confirmed by the polarization vs. electric field (P–E) loops study at room temperature. Variation of AC conductivity with frequency and temperature is also studied. The addition of BT leads to a decrease in the dielectric loss and phase transition temperature.","PeriodicalId":19881,"journal":{"name":"Phase Transitions","volume":"95 1","pages":"851 - 864"},"PeriodicalIF":1.6,"publicationDate":"2022-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41879418","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}
引用次数: 0
Phase transition for the SOS model under inhomogeneous external field on a Cayley tree Cayley树上非均匀外场下SOS模型的相变
IF 1.6 4区 材料科学
Phase Transitions Pub Date : 2022-11-11 DOI: 10.1080/01411594.2022.2138756
M. Rahmatullaev, O. Sh. Karshiboev
{"title":"Phase transition for the SOS model under inhomogeneous external field on a Cayley tree","authors":"M. Rahmatullaev, O. Sh. Karshiboev","doi":"10.1080/01411594.2022.2138756","DOIUrl":"https://doi.org/10.1080/01411594.2022.2138756","url":null,"abstract":"ABSTRACT In this paper, we study the phase transition phenomenon for the three-state solid-on-solid (SOS) model on a Cayley tree under a non-uniform external field.","PeriodicalId":19881,"journal":{"name":"Phase Transitions","volume":"95 1","pages":"901 - 907"},"PeriodicalIF":1.6,"publicationDate":"2022-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44999008","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}
引用次数: 1
Influence of sample measuring cell on isothermal crystallization of liquid crystalline compound forming the smectic CA* phase 样品测量池对形成近晶CA*相的液晶化合物等温结晶的影响
IF 1.6 4区 材料科学
Phase Transitions Pub Date : 2022-11-04 DOI: 10.1080/01411594.2022.2140661
A. Deptuch, E. Juszyńska-Gałązka, A. Drzewicz, M. Piwowarczyk, M. Urbańska, M. Tykarska
{"title":"Influence of sample measuring cell on isothermal crystallization of liquid crystalline compound forming the smectic CA* phase","authors":"A. Deptuch, E. Juszyńska-Gałązka, A. Drzewicz, M. Piwowarczyk, M. Urbańska, M. Tykarska","doi":"10.1080/01411594.2022.2140661","DOIUrl":"https://doi.org/10.1080/01411594.2022.2140661","url":null,"abstract":"ABSTRACT\u0000 Crystallization of liquid crystalline (S)-4′-(1-methylheptyloxycarbonyl) biphenyl-4-yl 4-[7-(2,2,3,3,4,4,4-heptafluorobutoxy) heptyl-1-oxy]-2,3-difluorobenzoate in isothermal conditions is investigated by polarizing optical microscopy and differential scanning calorimetry. It is shown that the sample container influences the crystallization kinetics, as a faster development of the crystal phase is observed on microscopic textures, for a sample in an electro-optic cell with a planarly aligning polymer layer, than for a sample in an aluminum pan used in a differential scanning calorimetry experiment. However, in both cases the total time of melt crystallization in the 291–303 K range is shorter than 10 min. Only at the highest investigated temperature, 305 K, the crystallization process is completed after 1.4 h because of a long initialization time. The difference with the glassforming (S)-4′-(1-methylheptyloxycarbonyl) biphenyl-4-yl 4-[7-(2,2,3,3,4,4,4-heptafluorobutoxy) heptyl-1-oxy]-2-fluorobenzoate is explained based on the thermodynamic driving force of crystallization.","PeriodicalId":19881,"journal":{"name":"Phase Transitions","volume":"96 1","pages":"149 - 156"},"PeriodicalIF":1.6,"publicationDate":"2022-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48891053","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}
引用次数: 1
A first principle study to investigate structural, electronic and optical properties of pristine and valency comparable Co, P decorated graphene like boron nitride (BN) nanosheets 研究原始和价态可比的钴、磷修饰类石墨烯氮化硼（BN）纳米片的结构、电子和光学性能的第一性原理研究
IF 1.6 4区 材料科学
Phase Transitions Pub Date : 2022-11-02 DOI: 10.1080/01411594.2022.2139699
Milon, Md. Kamal Hossain, Debashis Roy, F. Ahmed
{"title":"A first principle study to investigate structural, electronic and optical properties of pristine and valency comparable Co, P decorated graphene like boron nitride (BN) nanosheets","authors":"Milon, Md. Kamal Hossain, Debashis Roy, F. Ahmed","doi":"10.1080/01411594.2022.2139699","DOIUrl":"https://doi.org/10.1080/01411594.2022.2139699","url":null,"abstract":"ABSTRACT In this ongoing research work, a density functional theory (DFT) study has been performed to investigate the structural, chemical, electrical, and optical properties of the boron nitride nanosheets (BNNSs) by replacing one boron atom from BNNSs with valency comparable Cobalt (Co) and Phosphorus (P) atoms. The order of the calculated cohesion energy is −5.96 > −5.82 > −5.81 eV, respectively, for BN, Co@BN and P@BN, which leads to good structural stability. The calculated Eg follows the order 6.82 > 5.84 > 3.82 eV respectively for BN, P@BN and Co@BN, which reveal evidence of enhancing the electrical properties of the doped structures. Vibrational spectroscopies, global descriptors-DFT parameters, DOS, MEP and absorption spectra gave details information about the enhancement of the various properties of the BN nanosheets by doping, and suggest a high range of application in technology.","PeriodicalId":19881,"journal":{"name":"Phase Transitions","volume":"95 1","pages":"837 - 850"},"PeriodicalIF":1.6,"publicationDate":"2022-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49174568","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}
引用次数: 2
Structural, dielectric, electrical, and optical properties of the Ca3CuTi4O12 ceramic Ca3CuTi4O12陶瓷的结构、介电、电学和光学性能
IF 1.6 4区 材料科学
Phase Transitions Pub Date : 2022-10-31 DOI: 10.1080/01411594.2022.2133707
Sunena Parida, Prativa Pattnaik, S. Mishra, R. Choudhary
{"title":"Structural, dielectric, electrical, and optical properties of the Ca3CuTi4O12 ceramic","authors":"Sunena Parida, Prativa Pattnaik, S. Mishra, R. Choudhary","doi":"10.1080/01411594.2022.2133707","DOIUrl":"https://doi.org/10.1080/01411594.2022.2133707","url":null,"abstract":"ABSTRACT In this communication, the synthesis of the Ca3CuTi4O12 (CCTO) ceramic by a conventional solid-state reaction method is reported. The XRD analysis confirms an orthorhombic structure with average crystallite size and lattice strain are about 96.5 nm and 0.116% respectively. Field emission scanning electron microscope (FESEM) analysis confirms both weight and atomic percentage of all constituent elements and agglomeration rate of grains (DSEM /DSC = 7.4); which may be a possible reason for the observed elevated dielectric constant. No trace of phase transition is observed from the Raman lines; so, the observed giant dielectric constant may not be related to the displacement of Ti ions. The energy bandgap is about 3.72 eV, which may suitable for photovoltaic applications. The semiconducting nature is confirmed from the both Nyquist and Cole–Cole plots. Thermistor constant (β), sensitivity factor (α), and stability factor of the sample were calculated; which confirms the characteristics of the NTC thermistor.","PeriodicalId":19881,"journal":{"name":"Phase Transitions","volume":"95 1","pages":"865 - 887"},"PeriodicalIF":1.6,"publicationDate":"2022-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43668057","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}
引用次数: 0
Effects of anisotropy on magnetic and thermodynamic properties of a graphene cluster monolayer 各向异性对石墨烯簇单层磁性和热力学性质的影响
IF 1.6 4区 材料科学
Phase Transitions Pub Date : 2022-10-18 DOI: 10.1080/01411594.2022.2130309
Bo-chen Li, Wei Wang, Jianyi Lv, Xiaohua Zhang, Feng Wang
{"title":"Effects of anisotropy on magnetic and thermodynamic properties of a graphene cluster monolayer","authors":"Bo-chen Li, Wei Wang, Jianyi Lv, Xiaohua Zhang, Feng Wang","doi":"10.1080/01411594.2022.2130309","DOIUrl":"https://doi.org/10.1080/01411594.2022.2130309","url":null,"abstract":"ABSTRACT Using the Monte Carlo method, the ferrimagnetic mixed-spin (3/2, 5/2) Ising model is proposed to research the physical properties of graphene cluster monolayer, such as magnetization, susceptibility, internal energy, specific heat and hysteresis loops. The phase diagrams are also gained to investigate the blocking temperature TB and the discontinuous point TK under the different parameters. The abundant multi-loop hysteresis characteristics are observed, such as quintuple-loop, triple-loop and double-loop, owing to the competition among various parameters.","PeriodicalId":19881,"journal":{"name":"Phase Transitions","volume":"95 1","pages":"823 - 836"},"PeriodicalIF":1.6,"publicationDate":"2022-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45303048","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}
引用次数: 8
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