Feroze Gandhi College

Raibareli, India

Feroze Gandhi College

Raibareli, India
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Pandey C.,Mewar University | Sharma R.,Mewar University | Sharma Y.,Feroze Gandhi College
AIP Conference Proceedings | Year: 2017

The electronic structure and transport properties of the XIn2Te4 (X=Zn, Cd) compounds using the full potential linearized augmented plane-wave (FP-LAPW) method and the semi-classical Boltzmann theory are presented in this paper. The ternary chalcogenides ZnIn2Te4 and CdIn2Te4 are direct band gap semiconductors with a band gap of 1.08 and 1.03 eV respectively. Although the optical properties are very similar, the transport properties of these chalcopyrites differ. From the calculated Hall coefficient, it is found that the tellurides are p-type materials with electron concentration of 8.09×1019 and 4.80×1019 cm-3 respectively. The figure of merit shows variation with temperature in CdIn2Te4, whereas it is nearly constant over the entire temperature range (10-800 K) in ZnIn2Te4. © 2017 Author(s).

Sharma R.,Mewar University | Sharma Y.,Feroze Gandhi College
Advanced Science Letters | Year: 2016

We have studied the electronic structure of silicon based lithiated compounds LiSi, YSi and LiYSi by ab initio methods. The valence charge density, energy bands and density of states were calculated using FP-LAPW method in the framework of density functional theory. Furthermore, in order to understand the optical properties, the dielectric function, absorption coefficient, refractive index etc. were calculated for radiation up to 14 eV. We have also calculated the temperature dependent transport properties such as electrical and thermal conductivities. From the temperature dependent electronic specific heat, we obtain the coefficient γ which confirms the number of states at Fermi energy level. © 2016 American Scientific Publishers. All rights reserved.

Sharma R.,Mewar University | Dwivedi S.,Feroze Gandhi College | Sharma Y.,Feroze Gandhi College
AIP Conference Proceedings | Year: 2016

We present results of ab initio study of ordered vacancy compounds of mercury. The electronic structure, charge density, optical and transport properties of the semiconductor family HgGa2X4 (X=S, Se, Te) are calculated using the full potential linearized augmented plane wave method which is based on the density functional theory. A direct bandgap is observed in these compounds, which reduces in the order S>Se>Te. From the density of states it is observed that there is strong hybridization of Hg-d, Ga-d and X-p states. The optical properties show a red shift with increasing size and atomic no. of the chalcogenide atoms. We have also reported the transport properties of mercury thiogallates for the first time. The selenide compound exhibits n-Type nature whereas HgGa2S4 and HgGa2Te4 show p-Type behavior. The power factor and ZT for the HGS increases at low temperatures, the figure of merit is highest for HgGa2Se4 (1.17) at 19K. © 2016 Author(s).

Sharma R.,Feroze Gandhi Institute of Engineering and Technology | Dwivedi S.,Feroze Gandhi College | Sharma Y.,Feroze Gandhi College
International Journal of Hydrogen Energy | Year: 2015

Ternary intermetallic YPd3 is known to exhibit superior hydrogen storage capacity compared to pure palladium. To understand the characteristics of YPd3 on hydrogenation, the ground state electronic and dynamical properties were computed by two computational methods, the full potential linearized plane wave and projector augmented wave methods within the density functional theory. Hydrogen can be inserted in YPd3 at various octahedral sites, giving rise to model structures YPd3H and YPd3H4 which retain the L12 crystal structure. The calculated energy bands confirm the metallic nature of YPd3 and also exhibit greater dispersion of bands with increase in hydrogen content. Large variations in the optical constants such as transmittance is observed (by ∼40% in the violet region) with insertion of hydrogen, YPd3 may have thus have applications as a sensing device for monitoring hydrogen for using hydrogen safely. The electronic component γ obtained from the temperature dependent specific heats, is related to the density of states at the Fermi level which may be co-related to instability of hydrides. The modes at Γ-point in YPd3H and at X and M-points in YPd3H4 give rise to high peaks in the imaginary frequency regime which could drive the dynamical instabilities. From the formation energies and phonon modes it is found that the monohydride YPd3H is more stable, thus occupation of the octahedral sites at 2Y4Pd by hydrogen atoms results in greater dynamic instability in YPd3. © 2014 Hydrogen Energy Publications, LLC.

Root-rot caused by Rhizoctonia solani is a destructive disease of French bean (Phaseolus vulgaris) in the northern plains of India. A randomized block design field experiment was laid out in loam soil containing low organic carbon, nitrogen and medium available phosphorus to evaluate the disease controlling potential of soil inhabiting arbuscular mycorrhizal fungi (AMF) and bacteria. Plants treated with AMF either alone or in combination with Pseudomonas fluorescens, could endure the root-rot incidence under field conditions and produced higher pod yield. Combined inoculation of AMF + P. fluorescens was more effective for controlling the disease as well as increasing the yield. Addition of mustard oil cake to dual inoculation i.e. AMF + P. fluorescens was found highly effective. AMF + p dose chemical phosphorus also improved pod yield and 100-seed weight even in R. solani infected plants. Mixed inoculations along with mustard oil cake were found best treatments for root-rot disease control management. © 2011 Elsevier Masson SAS.

Sharma Y.,Feroze Gandhi College | Srivastava P.,Feroze Gandhi College
Indian Journal of Pure and Applied Physics | Year: 2011

Transparent conducting oxides have important applications as optoelectronic devices. First principles calculations have been performed to study the electronic and optical properties of Sc-, Y- and Ti-doped transparent conducting oxide (TCO) material CdO. The dielectric functions, absorption coefficients and transmittance spectra have been computed to study the effect of doping. The density of states have also been investigated to interpret the calculated optical spectra in terms of inter band transitions. The valence electron charge density is plotted to understand the redistribution of charges on introduction of transition metal ions. The electrical conductivity and Hall coefficient have also been calculated. The calculated band gap for pure CdO which is 0.51 eV increases significantly with doping. The band gaps for Sc-, Y- and Ti- doped CdO are 2.67, 2.83 and 2.53 eV, respectively, which are in good agreement with experimental measurements.

Sharma Y.,Feroze Gandhi College | Srivastava P.,Feroze Gandhi College
Optical Materials | Year: 2011

Crystalline arsenic telluride exists in two stable phases. The monoclinic α-phase transforms to rhombohedral β-phase under high pressure. The electronic, optical and transport properties of the two phases has been investigated using full potential linear augmented plane wave (LAPW) + local orbitals (lo) scheme, in the framework of DFT with generalized gradient approximation (GGA). We present the energy bands, density of states and optical properties like the complex dielectric functions and absorption coefficients. From the dynamic dielectric constant, the structural anisotropy for the monoclinic α-phase is clearly observed, whereas the longitudinal and transverse components are almost identical for the β-phase. The optical absorption profiles clearly indicate that β-phase has possibility of greater multiple direct and indirect interband transitions in the infrared and visible regions compared to the α-phase. The rhomohedral phase which has the Bi2Te3 type structure has the possibility of thermoelectric properties, therefore transport properties like electrical and thermal conductivities, Seebeck and Hall coefficients etc. are also calculated. Good agreements are found with the available experimental results. © 2011 Elsevier B.V. All rights reserved.

Srivastava P.,Feroze Gandhi College | Singh Mund H.,University of Rajasthan | Sharma Y.,Feroze Gandhi College
Physica B: Condensed Matter | Year: 2011

The electronic structure of crystalline As2S3 and As2Se3 has been calculated in this paper. We present the energy bands, density of states (DOS) and the Compton profiles using the linear combination of atomic orbitals (LCAO) scheme based on the density functional theory (DFT). From the calculated total and partial density of states it is seen that the lone-pair p-states of sulphur/selenium contribute closest to the Fermi energy level. To interpret the theoretical data on the Compton line shape, we have measured the Compton profiles on a 100 mCi 241Am spectrometer. It is seen that the density functional theory within generalised gradient approximation gives a slightly better agreement with the experimental momentum densities. The nature of chemical bonding in arsenic chalcogenides is studied using Mullikens population analysis and the experimentally measured equal-valence-electron-density profiles; As2S3 is found to be more ionic compared to As2Se3. © 2011 Elsevier B.V.

The effects of inoculation of three arbuscular mycorrhizal (AM) fungi namely, Glomus mosseae, Glomus sinuosum, and Scutellospora erythropa in addition to Pseudomonas fluorescens and treatment with mustard oil cake on root-rot disease of Cyamopsis tetragonoloba L plants caused by Macrophomina phaseolina were evaluated under polyhouse conditions for 2 years. Inoculations of an arbuscular mycorrhizal fungi (AMF) in combination with P. fluorescens and mustard oil cake showed best supporting biocontrol system against the root-rot disease besides increasing the plant height, weight, and yield. The biocontrolling efficiency of dual inoculation (AMF + P. fluorescens) was the second best combination followed by AM plus mustard oil cake. Among the three AM fungi, G. mosseae inoculations showed the best results. Different combined AMF inoculations also altered the concentrations of total soluble sugars, orthodihydric phenols, flavonols, and epicuticular wax contents in host plants. © 2009 Springer-Verlag.

Tiwari C.,Feroze Gandhi College | Sharma R.,Feroze Gandhi Institute Of Engg And Technology | Sharma Y.,Feroze Gandhi College
AIP Conference Proceedings | Year: 2013

In this paper we perform spin polarized calculations and present the electronic structure of Fe doped MoX2 (X=S, Se, Te) using the density functional theory (DFT) with generalized gradient approximation (GGA). The calculated indirect band gaps for semiconducting MoS2, MoSe 2 and MoTe2 are 0.788, 0.864 and 0.68 eV respectively. The dx 2-y2 & dxy states hybridized with p and d states of S and Mo contribute to additional states in the vicinity of Fermi energy. © 2013 American Institute of Physics.

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