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The structural properties strontium oxide (SrO) in two phases, namely, Rocksalt (B1) and Cesium Chloride (B2) phases, and a structural transition from B1 to B2 structures are presented. We have estimated the effect of pressure on structural and elastic properties of SrO semiconducting material using an effective inter-ionic potential method, which contain the long-range Coulomb and van der Waals (vdW) interactions and the short-range repulsive interaction of up to second- neighbor ions within the Hafemeister and Flygare approach. To calculate the vdW coefficients Slater-Kirkwood variational method was used. Our calculated phase transition pressure (Pt) is 38.5 GPa. We have also focused on the elastic properties of SrO compound within the effective inter-ionic potential approach and the second order elastic constants (SOEC) were predicted in both the phases. The present calculations have provided a good agreement with the available data reported on this compound. [ABSTRACT FROM AUTHOR]

In this article, we studied theBi0.9La0.1FeO3 (BLFO) and BaTiO3 (BTO) and their composite (0.85) Bi0.9La0.1FeO3-(0.15) BaTiO3 for their structural and dielectric properties. The samples were prepared via conventional solid state reaction route. The X-ray diffraction spectroscopy analysis reveals the rhombohedral crystal structure for BLFO and Cubic structure for BTO. While, Bi0.9La0.1FeO3−(0.15) BaTiO3 depicts the presence of both the phases. The compositional and morphological studyof the composite was also carried out. The frequency dependent dielectric analysis shows that the samples exhibit a good dielectric property with low loss in directric values. The ac conductivity at lower frequency shows independent of the field but after the threshold value of frequency, the conductivity increases due to hopping of charge carriers. It is concluded that the samples are promising candidates for good energy storage capability, required in storage device applications. [ABSTRACT FROM AUTHOR]

In this article, we studied theBi0.9La0.1FeO3 (BLFO) and BaTiO3 (BTO) and their composite (0.85) Bi0.9La0.1FeO3-(0.15) BaTiO3 for their structural and dielectric properties. The samples were prepared via conventional solid state reaction route. The X-ray diffraction spectroscopy analysis reveals the rhombohedral crystal structure for BLFO and Cubic structure for BTO. While, Bi0.9La0.1FeO3−(0.15) BaTiO3 depicts the presence of both the phases. The compositional and morphological studyof the composite was also carried out. The frequency dependent dielectric analysis shows that the samples exhibit a good dielectric property with low loss in directric values. The ac conductivity at lower frequency shows independent of the field but after the threshold value of frequency, the conductivity increases due to hopping of charge carriers. It is concluded that the samples are promising candidates for good energy storage capability, required in storage device applications. [ABSTRACT FROM AUTHOR]

In this presented work, we report the synthesis and characterization of A-site doped multiferroic BiFeO3 by La3+ and Ba2+ The perovskite Bi1-x (Lax-y Bay)FeO3 (x = 0.1, y = 0, 0.05) samples were synthesized using high temperature solid state reaction route and were characterized for structural studies using X-ray diffraction and Raman spectral studies. The Bi(La/Ba)FeO3 samples were further studied for frequency dependent dielectric properties at room temperature. The XRD spectrum analysis infers the samples to be crystalline in nature as well as single phased. The XRD spectral study of as synthesized samples further reveals their crystallization into the trigonal structure with an assigned space group R3c. The intense reflection peaks witness the crystallinity and narrow fullwidth at half maximum indicate the higher average particle size. The average particle size calculated using Scherrer's formula was 47.39nm for La and 34.32 nm for La/Ba doped BiFeO3. The lattice parameters calculated for La doped BiFeO3 were a = b = 5.5771Å and c = 13.8021Å and La/Ba doped BiFeO3 were a = b = 5.5844 Å and c = 13.8215 Å which witness acquired trigonal structure. The dielectric studies reveal the Bi1-x (Lax-y Bay)FeO3 (x = 0.1, y = 0, 0.05) samples to be good dielectric in nature with lower dielectric loss values. The ac conductivity study reveals the samples to be resistive to the applied field to a higher value thereby does not respond but after the certain limit of the applied field, the conductivity abruptly increases which is attributed to the release of the charge carriers by the trap centers after a threshold voltage. The intriguing dielectric and loss character infer these samples is feasible for electo-magnetic device application. [ABSTRACT FROM AUTHOR]

In this presented work, we report the synthesis and characterization of A-site doped multiferroic BiFeO3 by La3+ and Ba2+ The perovskite Bi1-x (Lax-y Bay)FeO3 (x = 0.1, y = 0, 0.05) samples were synthesized using high temperature solid state reaction route and were characterized for structural studies using X-ray diffraction and Raman spectral studies. The Bi(La/Ba)FeO3 samples were further studied for frequency dependent dielectric properties at room temperature. The XRD spectrum analysis infers the samples to be crystalline in nature as well as single phased. The XRD spectral study of as synthesized samples further reveals their crystallization into the trigonal structure with an assigned space group R3c. The intense reflection peaks witness the crystallinity and narrow fullwidth at half maximum indicate the higher average particle size. The average particle size calculated using Scherrer's formula was 47.39nm for La and 34.32 nm for La/Ba doped BiFeO3. The lattice parameters calculated for La doped BiFeO3 were a = b = 5.5771Å and c = 13.8021Å and La/Ba doped BiFeO3 were a = b = 5.5844 Å and c = 13.8215 Å which witness acquired trigonal structure. The dielectric studies reveal the Bi1-x (Lax-y Bay)FeO3 (x = 0.1, y = 0, 0.05) samples to be good dielectric in nature with lower dielectric loss values. The ac conductivity study reveals the samples to be resistive to the applied field to a higher value thereby does not respond but after the certain limit of the applied field, the conductivity abruptly increases which is attributed to the release of the charge carriers by the trap centers after a threshold voltage. The intriguing dielectric and loss character infer these samples is feasible for electo-magnetic device application. [ABSTRACT FROM AUTHOR]

We have carried out structural and elastic propertiesof Gallium Phosphide (GaP) semiconducting compound. For this Purpose, we used effective inter-ionic potential method, which consist of the long-range Coulomb and van der Waals (vdW) interactions and the short-range repulsive interaction of up to second-neighbor ions within the Hafemeister and Flygare approach. First, we used the Slater-Kirkwood variational method to estimate the vdW coefficients. The estimated value of the phase transition pressure (Pt) is 26GPa for B3(ZnS) type phase structure to B1(NaCl) type phase structure, which is agreeing with the experimental and theoretical reported data. We have also predicted the elastic properties of GaP compound within the effective inter-ionic potential approach. [ABSTRACT FROM AUTHOR]

We have investigated the effect of pressure on structural and elastic properties of Scandium Phosphide (ScP) semiconducting material by using aneffective inter-ionic potential method, which contain the long-range Coulomb and vander Waals (vdW) interactions and the short-range repulsive interaction of up to second-neighbor ions within the Hafemeister and Flygare approach. First, the Slater-Kirkwood variational method is performed to calculate the vdW coefficients. The calculated value of the phase transition pressure (Pt) is 250GPa for B1 (NaCl) type phase structure to B2(CsCl) type phase structure, it was found that the calculated value of transition pressure is agreeing with the reported data. We have also focused on the elastic properties of ScP compound within the effective inter-ionic potential approach and the second order elastic constants (SOEC) were predicted in both the phases. [ABSTRACT FROM AUTHOR]