E. Viswanathan, M. Sundareswari, D. Jayalakshmi, M. Manjula
Theoretical studies on rutile type Palladium Dioxide were carried out with the aim of analyzing structural and electronic properties at ambient condition using the first principle calculation based on density functional theory. Within the framework of density functional theory, we used full potential linearized augmented plane wave method(FP-LAPW) in Wien 2k code. The exchange and correlation effect is treated with generalized gradient approximation (GGA) using the Perdew, Burke and Eruzeroff form. The charge density plots, density of states and band structure are plotted and discussed.
{"title":"Theoretical investigation on structural and electronic properties of PdO2","authors":"E. Viswanathan, M. Sundareswari, D. Jayalakshmi, M. Manjula","doi":"10.1063/1.4918027","DOIUrl":"https://doi.org/10.1063/1.4918027","url":null,"abstract":"Theoretical studies on rutile type Palladium Dioxide were carried out with the aim of analyzing structural and electronic properties at ambient condition using the first principle calculation based on density functional theory. Within the framework of density functional theory, we used full potential linearized augmented plane wave method(FP-LAPW) in Wien 2k code. The exchange and correlation effect is treated with generalized gradient approximation (GGA) using the Perdew, Burke and Eruzeroff form. The charge density plots, density of states and band structure are plotted and discussed.","PeriodicalId":16850,"journal":{"name":"Journal of Physics C: Solid State Physics","volume":"4 1","pages":"090047"},"PeriodicalIF":0.0,"publicationDate":"2015-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80837317","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In the present study, the hydrogen storage performance of SPEEK-h-BN nanocomposite membrane is investigated. The SPEEK-h-BN nanocomposite is prepared by using phase inversion technique. Hydrogen adsorption studies have been carried out for the membranes using a Seiverts-like hydrogenation setup. The synthesized membranes are characterized by 1H NMR, Raman spectroscopy, SEM, EDS, CHN-elemental analysis and TGA to analyze the membrane at various steps of experiments. It is observed that the SPEEK-h-BN nanocomposite membrane shows the enhanced performance compared to the pure SPEEK with a maximum storage capacity of 2.98 wt. % at 150 °C and the adsorbed hydrogen possess the average binding energy of 0.38 eV, while the pure SPEEK shows the storage capacity of 0.66 wt. % at 150 °C and the average binding energy of hydrogen of 0.36 eV. The TGA study shows the dehydrogenation of hydrogenated SPEEK-h-BN nanocomposite favors in the temperature range of 214 -218 °C.
{"title":"Experimental investigation on hydrogen storage in polymer based nanocomposite","authors":"R. Muthu, S. Rajashabala, R. Kannan","doi":"10.1063/1.4917733","DOIUrl":"https://doi.org/10.1063/1.4917733","url":null,"abstract":"In the present study, the hydrogen storage performance of SPEEK-h-BN nanocomposite membrane is investigated. The SPEEK-h-BN nanocomposite is prepared by using phase inversion technique. Hydrogen adsorption studies have been carried out for the membranes using a Seiverts-like hydrogenation setup. The synthesized membranes are characterized by 1H NMR, Raman spectroscopy, SEM, EDS, CHN-elemental analysis and TGA to analyze the membrane at various steps of experiments. It is observed that the SPEEK-h-BN nanocomposite membrane shows the enhanced performance compared to the pure SPEEK with a maximum storage capacity of 2.98 wt. % at 150 °C and the adsorbed hydrogen possess the average binding energy of 0.38 eV, while the pure SPEEK shows the storage capacity of 0.66 wt. % at 150 °C and the average binding energy of hydrogen of 0.36 eV. The TGA study shows the dehydrogenation of hydrogenated SPEEK-h-BN nanocomposite favors in the temperature range of 214 -218 °C.","PeriodicalId":16850,"journal":{"name":"Journal of Physics C: Solid State Physics","volume":"37 1","pages":"050092"},"PeriodicalIF":0.0,"publicationDate":"2015-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75408536","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Silver-doped amorphous Ge8Sb2Te11 thin films have been prepared by photodiffusion at room-temperature; the Ge8Sb2Te11/Ag bilayer was deposited by vacuum thermal evaporation. Photodiffusion of Ag into the amorphous Ge8Sb2Te11 thin films has been carried out by illuminating the prepared Ge8Sb2Te11/Ag bilayer with halogen lamp. The photodiffused silver depth profile was traced by means of time of flight secondary ion mass spectroscopy. The film remains amorphous after Ag photodiffusion. The crystallization temperature of the films was evaluated by temperature dependent sheet resistance measurement. The amorphous nature and crystalline phases of the films have been identified by using X-ray diffraction.
{"title":"Characterization of silver photodiffusion in Ge8Sb2Te11 thin films","authors":"Sandeep Kumar, D. Singh, S. Sandhu, R. Thangaraj","doi":"10.1063/1.4917925","DOIUrl":"https://doi.org/10.1063/1.4917925","url":null,"abstract":"Silver-doped amorphous Ge8Sb2Te11 thin films have been prepared by photodiffusion at room-temperature; the Ge8Sb2Te11/Ag bilayer was deposited by vacuum thermal evaporation. Photodiffusion of Ag into the amorphous Ge8Sb2Te11 thin films has been carried out by illuminating the prepared Ge8Sb2Te11/Ag bilayer with halogen lamp. The photodiffused silver depth profile was traced by means of time of flight secondary ion mass spectroscopy. The film remains amorphous after Ag photodiffusion. The crystallization temperature of the films was evaluated by temperature dependent sheet resistance measurement. The amorphous nature and crystalline phases of the films have been identified by using X-ray diffraction.","PeriodicalId":16850,"journal":{"name":"Journal of Physics C: Solid State Physics","volume":"46 1","pages":"080021"},"PeriodicalIF":0.0,"publicationDate":"2015-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77540919","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Abhishek Chitnis, N. Garg, A. Mishra, K. Pandey, A. Singhal, Surinder M. Sharma
Angle dispersive x-ray diffraction studies were carried out on a mixture of nano particles of indium titanate, indium oxide, and disordered TiO2 upto pressures of ∼ 45 GPa. Our studies show that indium titanate undergoes a partial decomposition to its constituent high pressure oxides. However, concomitantly a very small fraction of indium titanate transforms to a denser phase at ∼ 27.5 GPa. This transformation to new phase was found to be irreversible. At this pressure even cubic In2O3 transformed to the In2O3 (II) (iso-structural to Rh2O3 (II)) phase, without any signature of the intermediate corundum phase. The high pressure In2O3 (II) phase transforms to the corundum structure on release of pressure. These studies indicate that the presence of a large fraction of seed impurities could have facilitated the decomposition of indium titanate into its constituent oxides at the cost of its incomplete transformation to the high pressure denser phase.
{"title":"Effect of impurity on high pressure behavior of nano indium titanate","authors":"Abhishek Chitnis, N. Garg, A. Mishra, K. Pandey, A. Singhal, Surinder M. Sharma","doi":"10.1063/1.4917599","DOIUrl":"https://doi.org/10.1063/1.4917599","url":null,"abstract":"Angle dispersive x-ray diffraction studies were carried out on a mixture of nano particles of indium titanate, indium oxide, and disordered TiO2 upto pressures of ∼ 45 GPa. Our studies show that indium titanate undergoes a partial decomposition to its constituent high pressure oxides. However, concomitantly a very small fraction of indium titanate transforms to a denser phase at ∼ 27.5 GPa. This transformation to new phase was found to be irreversible. At this pressure even cubic In2O3 transformed to the In2O3 (II) (iso-structural to Rh2O3 (II)) phase, without any signature of the intermediate corundum phase. The high pressure In2O3 (II) phase transforms to the corundum structure on release of pressure. These studies indicate that the presence of a large fraction of seed impurities could have facilitated the decomposition of indium titanate into its constituent oxides at the cost of its incomplete transformation to the high pressure denser phase.","PeriodicalId":16850,"journal":{"name":"Journal of Physics C: Solid State Physics","volume":"46 1","pages":"030024"},"PeriodicalIF":0.0,"publicationDate":"2015-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86596908","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Single crystals of tris (glycine) Calcium (II) dichloride (TGCC) were successfully grown by Sankaranarayanan-Ramasamy (SR) method and conventional slow evaporation solution technique which have the sizes of 40 mm in length, 20 mm in diameter and 10×10×3 mm3 respectively. The grown TGCC crystals have been subjected to single crystal X-ray diffraction, UV-Vis NIR studies, Vickers micro hardness analysis, laser damage and SHG analysis. The transmittance of the grown crystal was analyzed by recording UV-Vis-NIR analysis. Mechanical strength of the SR method grown crystals was higher than the conventional method grown crystal.
{"title":"Growth of TGCC crystals by Sankaranarayanan–Ramasamy (SR) method and its characterization","authors":"K. Boopathi, P. Ramasamy","doi":"10.1063/1.4918041","DOIUrl":"https://doi.org/10.1063/1.4918041","url":null,"abstract":"Single crystals of tris (glycine) Calcium (II) dichloride (TGCC) were successfully grown by Sankaranarayanan-Ramasamy (SR) method and conventional slow evaporation solution technique which have the sizes of 40 mm in length, 20 mm in diameter and 10×10×3 mm3 respectively. The grown TGCC crystals have been subjected to single crystal X-ray diffraction, UV-Vis NIR studies, Vickers micro hardness analysis, laser damage and SHG analysis. The transmittance of the grown crystal was analyzed by recording UV-Vis-NIR analysis. Mechanical strength of the SR method grown crystals was higher than the conventional method grown crystal.","PeriodicalId":16850,"journal":{"name":"Journal of Physics C: Solid State Physics","volume":"1 1","pages":"100013"},"PeriodicalIF":0.0,"publicationDate":"2015-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89230065","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Copper oxide films were fabricated using RF-magnetron sputtering from CuO target in an argon environment at various RF powers. The effect of RF power on structure, morphology and optical properties of the films was studied. As deposited films were Cu4O3. The GIXRD and Raman spectra show the evolution of CuO phase with increasing RF power. The optical band gap decreases from 2.1 to 1.6 eV with increase in RF power.
{"title":"Effect of RF power on structure and optical properties of RF sputtered copper oxide thin films","authors":"J. Kaur, S. Saipriya, R. Singh","doi":"10.1063/1.4917927","DOIUrl":"https://doi.org/10.1063/1.4917927","url":null,"abstract":"Copper oxide films were fabricated using RF-magnetron sputtering from CuO target in an argon environment at various RF powers. The effect of RF power on structure, morphology and optical properties of the films was studied. As deposited films were Cu4O3. The GIXRD and Raman spectra show the evolution of CuO phase with increasing RF power. The optical band gap decreases from 2.1 to 1.6 eV with increase in RF power.","PeriodicalId":16850,"journal":{"name":"Journal of Physics C: Solid State Physics","volume":"31 1","pages":"080023"},"PeriodicalIF":0.0,"publicationDate":"2015-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76891645","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In PrCo2Si2 and NdCo2Si2, Co has been partially substituted by V. Vanadium having a larger atomic radius than cobalt, the substitution results in a negative pressure affecting the magnetic properties of the compound. The samples RE(Co1-xVx)2Si2 (RE = Pr, Nd; x = 0, 0.20, 0.35) were prepared by melting the corresponding elements in arc furnace and characterized using x-ray diffraction. Magnetometric measurements show that the parent compounds PrCo2Si2 and NdCo2Si2 are antiferromagnetic, as reported. With doping, ferrimagnetic behaviour is observed from temperature dependence of inverse susceptibility at about 50 K. At lower than 30 K, the magnetizations tend to saturate at high fields. From the field dependence of magnetization, the hysteresis loops and also coercive fields as observed, the samples exhibit ferromagnetism below ∼ 30 K. Exchange bias effect is also observed in the high V containing sample. The specific heat studies of the samples show transitions consistent with the magnetization data. Pr(Co...
{"title":"Crossover from antiferro-to-ferromagnetism on substitution of Co by V in RE(Co1-xVx)2Si2 (0 ≤ x ≤ 0.35)","authors":"R. R. Chowdhury, S. Dhara, B. Bandyopadhyay","doi":"10.1063/1.4918188","DOIUrl":"https://doi.org/10.1063/1.4918188","url":null,"abstract":"In PrCo2Si2 and NdCo2Si2, Co has been partially substituted by V. Vanadium having a larger atomic radius than cobalt, the substitution results in a negative pressure affecting the magnetic properties of the compound. The samples RE(Co1-xVx)2Si2 (RE = Pr, Nd; x = 0, 0.20, 0.35) were prepared by melting the corresponding elements in arc furnace and characterized using x-ray diffraction. Magnetometric measurements show that the parent compounds PrCo2Si2 and NdCo2Si2 are antiferromagnetic, as reported. With doping, ferrimagnetic behaviour is observed from temperature dependence of inverse susceptibility at about 50 K. At lower than 30 K, the magnetizations tend to saturate at high fields. From the field dependence of magnetization, the hysteresis loops and also coercive fields as observed, the samples exhibit ferromagnetism below ∼ 30 K. Exchange bias effect is also observed in the high V containing sample. The specific heat studies of the samples show transitions consistent with the magnetization data. Pr(Co...","PeriodicalId":16850,"journal":{"name":"Journal of Physics C: Solid State Physics","volume":"100 1","pages":"130040"},"PeriodicalIF":0.0,"publicationDate":"2015-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80715930","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
S. Soni, Sudish Kumar, R. S. Meena, V. S. Vats, S. Dalela
In this research wok systematic investigation on the synthesis, characterization, optical and magnetic properties of Ce1-xGdxO2 (where x=0.02, 0.04, 0.06, and 0.10) synthesized using the Solid-state method. Structural, Optical and Magnetic properties of the samples were investigated by X-ray diffraction (XRD), UV-VIS-NIR spectroscopy and VSM. Fluorite structure is confirmed from the XRD measurement on Gd doped CeO2 samples. Magnetic studies showed that the Gd doped polycrystalline samples display room temperature ferromagnetism and the ferromagnetic ordering strengthens with the Gd concentration.
{"title":"Interplay of structural, optical and magnetic properties in Gd doped CeO2","authors":"S. Soni, Sudish Kumar, R. S. Meena, V. S. Vats, S. Dalela","doi":"10.1063/1.4918177","DOIUrl":"https://doi.org/10.1063/1.4918177","url":null,"abstract":"In this research wok systematic investigation on the synthesis, characterization, optical and magnetic properties of Ce1-xGdxO2 (where x=0.02, 0.04, 0.06, and 0.10) synthesized using the Solid-state method. Structural, Optical and Magnetic properties of the samples were investigated by X-ray diffraction (XRD), UV-VIS-NIR spectroscopy and VSM. Fluorite structure is confirmed from the XRD measurement on Gd doped CeO2 samples. Magnetic studies showed that the Gd doped polycrystalline samples display room temperature ferromagnetism and the ferromagnetic ordering strengthens with the Gd concentration.","PeriodicalId":16850,"journal":{"name":"Journal of Physics C: Solid State Physics","volume":"203 1","pages":"130029"},"PeriodicalIF":0.0,"publicationDate":"2015-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86532215","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Single crystals of Nd1-xSmxGaO3 (x= 0 and 0.25) were grown by a four mirror IR image furnace using floating zone technique. The crystals are characterized by X-ray diffraction and Raman spectroscopic measurements. NGO adopts orthorhombic structure with Pbnm symmetry and samarium substituted compound also exhibited the same structure as that of the pristine compound without secondary phases. Polarized Raman spectra are measured at ambient temperature in a back scattering geometry. Spectra exhibit low intensity first-order Raman bands. In addition, several high intensity second-order Raman bands have been observed in the frequency range 2000 to 4000 cm−1.
{"title":"Raman spectroscopic studies of Nd0.75Sm0.25GaO3 single crystals","authors":"R. Nithya, D. Daniel, T R Ravindran","doi":"10.1063/1.4918052","DOIUrl":"https://doi.org/10.1063/1.4918052","url":null,"abstract":"Single crystals of Nd1-xSmxGaO3 (x= 0 and 0.25) were grown by a four mirror IR image furnace using floating zone technique. The crystals are characterized by X-ray diffraction and Raman spectroscopic measurements. NGO adopts orthorhombic structure with Pbnm symmetry and samarium substituted compound also exhibited the same structure as that of the pristine compound without secondary phases. Polarized Raman spectra are measured at ambient temperature in a back scattering geometry. Spectra exhibit low intensity first-order Raman bands. In addition, several high intensity second-order Raman bands have been observed in the frequency range 2000 to 4000 cm−1.","PeriodicalId":16850,"journal":{"name":"Journal of Physics C: Solid State Physics","volume":"28 1","pages":"100024"},"PeriodicalIF":0.0,"publicationDate":"2015-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84215253","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
We have studied the effect of substitution of transition-metal chromium (Cr) in excess on Fe sub-lattice in the electronic structure of iron-selenide alloys, FeCr0.02Se. In our calculations, we used Korringa-Kohn-Rostoker coherent potential approximation method in the atomic sphere approximation (KKR-ASA-CPA). We obtained different band structure of this alloy with respect to the parent FeSe and this may be reason of changing their superconducting properties. We did unpolarized calculations for FeCr0.02Se alloy in terms of density of states (DOS) and Fermi surfaces. The local density approximation (LDA) is used in terms of exchange correlation potential.
{"title":"Electronic properties of excess Cr at Fe site in FeCr0.02Se alloy","authors":"Sandeep Kumar, Prabhakar P Singh","doi":"10.1063/1.4918011","DOIUrl":"https://doi.org/10.1063/1.4918011","url":null,"abstract":"We have studied the effect of substitution of transition-metal chromium (Cr) in excess on Fe sub-lattice in the electronic structure of iron-selenide alloys, FeCr0.02Se. In our calculations, we used Korringa-Kohn-Rostoker coherent potential approximation method in the atomic sphere approximation (KKR-ASA-CPA). We obtained different band structure of this alloy with respect to the parent FeSe and this may be reason of changing their superconducting properties. We did unpolarized calculations for FeCr0.02Se alloy in terms of density of states (DOS) and Fermi surfaces. The local density approximation (LDA) is used in terms of exchange correlation potential.","PeriodicalId":16850,"journal":{"name":"Journal of Physics C: Solid State Physics","volume":"9 1","pages":"090031"},"PeriodicalIF":0.0,"publicationDate":"2015-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76361254","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
京公网安备 11010802042870号
京ICP备2023020795号-1
扫码关注我们
求助内容：
应助结果提醒方式：