arXiv subjects

Rajyavardhan Ray

Publications and source records attributed to Rajyavardhan Ray.

29 records · Page 2Linked to original sources

arXiv2018

Indole moiety induced biological potency in pseudo- peptides derived from 2-amino-2-(1H-indole-2-yl) based acetamides: synthesis, structure and computational investigations

We report the synthesis and theoretical investigations of three novel pseudo-peptide molecules derived from 2-amino-2-(1H-indole-2-yl) acetamides. The compounds were subjected to spectroscopic characterization ($^1$H, $^{13}$C-NMR and MS) and their chemical, electronic, and optical properties have been investigated. To ascertain their potential pharmacological applicability, the prospective reactive centers and molecular sites prone to interaction with water were identified along with possible sensitivity to autoxidation. Further, we have studied the optical response in the presence of different solvents and compared the electronic and optical properties of the pristine molecules. We highlight the subtle dependence of the properties on the structure and composition of these pseudo-peptides. Our results indicate that these molecules have high pharmaceutical potential and could serve as lead components in new drug formulations.

cond-mat.mtrl-sci↗

arXiv2017

Effects of octahedral tilting on the electronic structure and optical properties of $d^0$ double perovskites $\mathbf{\rm A_2ScSbO_6}$ ($\mathbf{\rm A=Sr, Ca}$)

With increasing temperature, ${\rm Sr}_2{\rm ScSbO}_6$ undergoes three structural phase transitions at approximately ${\rm 400K}$, ${\rm 560K}$ and ${\rm 650K}$, leading to the following sequence of phases: $P2_1/n \rightarrow I2/m \rightarrow I4/m \rightarrow Fm\bar{3}m$, making it an ideal candidate to study the effects of octahedral tilting keeping other parameters fixed. To ascertain the isolated effects of octahedral distortions, the electronic and optical properties of the monoclinic $P2_1/n$ (at room temperature), monoclinic $I2/m$ (at ${\rm 430K}$), tetragonal $I4/m$ (at ${\rm 613K}$) and the cubic $Fm\bar{3}m$ (at ${\rm 660K}$) phases have been studied in terms of the electronic structure, dielectric constant, optical conductivity and electron energy loss spectroscopy using density functional theory. ${\rm Ca}_2{\rm ScSbO}_6$, on the other hand, shows only a $P2_1/n$ phase at room temperature and its properties have been been compared with the corresponding ${\rm Sr}$ compound. UV-Vis spectroscopic studies of the optical properties of the room-temperature phase of these $d^0$ double perovskite have been performed and presence of large direct bandgap for both the compounds have been reported. The electronic bandgaps for the room temperature phases is found to be in good agreement with the corresponding experimental values obtained using the Kubelka-Munk function. Interestingly, in contrast to other Sc-based $d^0$ double perovskites, with increasing octahedral distortions, the effective $t_{\rm 2g}$ bandwidth remains unaffected while the states forming the band change due to changes in unit cell orientation, leading to small effects on the electronic and optical properties.

cond-mat.mtrl-sci↗

arXiv2015

Optical and Electronic Properties of Double Perovskite Ba2ScSbO6

Ba2ScSbO6 (BSS) has been synthesized in polycrystalline form by solid state reaction. Structural characterization of the compound was done through X-ray diffraction (XRD) followed by Riedvelt analysis of the XRD pattern. The crystal structure is cubic, space group Fm-3m (No. 225. Optical band-gap of the present system has been calculated using the UV-Vis Spectroscopy to be 4.2eV. A detailed study of the electronic properties has also been carried out using the Full-Potential Linear Augmented Plane Wave (FPLAPW) as implemented in WIEN2k. BSS is found to be a large band-gap insulator with potential technological applications, such as dielectric resonators and filers in microwave applications

cond-mat.mtrl-sci↗

arXiv2014

Coupled spin-charge order in frustrated itinerant triangular magnets

We uncover four new spin-charge ordered ground states in the strong coupling limit of the Kondo lattice model on triangular geometry. Two of the states at one-third electronic filling ($n=1/3$) consist of decorated ferromagnetic chains coupled antiferromagnetically with the neighboring chains. The third magnetic ground state is noncollinear, consisting of antiferromagnetic chains separated by a pair of canted ferromagnetic chains. An even more unusual magnetic ground state, a variant of the $120^{\circ}$ Yafet-Kittel phase, is discovered at $n=2/3$. These magnetic orders are stabilized by opening a gap in the electronic spectrum: a "band effect". All the phases support modulations in the electronic charge density due to the presence of magnetically inequivalent sites. In particular, the charge ordering pattern found at $n=2/3$ is observed in various triangular lattice systems, such as, 2H-AgNiO$_2$, 3R-AgNiO$_2$ and Na$_x$CoO$_2$.

cond-mat.str-el↗

arXiv2013

Structural and Optical Studies on Manganese doped, Modified Sodium Potassium Lithium Niobate Lead-free Piezoelectric Ceramics

Structural and Optical properties of the (Na0.5 K0.5)y Li 1-y NbO3 (y = 0.934 & 0.936) ceramics have been explored in terms of the X-Ray diffraction patters, Rietveld analysis, UV-Vis spectroscopy, and Kubelka-Munk functions. Rietveld analysis of both these structures reveals them to be tetragonal with space group P4mm. It is found that increase in Li doping increases the optical band gap. Presence of additional hardening dopant MnO2 is found to have a uniform behavior for both these composition. With increasing MnO2 concentration, the band gap decreases indicative of increase in B-site cation and O-p orbitals. Different valences of the Mn ions and relative difference in the ionic radii of the Mn ions and Nb ion are most likely the reason for these optical properties.

cond-mat.mtrl-sci↗

arXiv2013

Dielectric Investigation, Piezoelectric Measurement and Structural Studies of Strontium-doped, modified PMS-PZT Piezoelectric Ceramics

The structure and dielectric properties of 6% $\rm{Sr}^{2+}$-substituted, modified Lead Zirconium Titanate (PZT) piezoelectric ceramic, with composition $[\rm{Pb}_{0.94}\rm{Sr}_{0.06}][(\rm{Mn}_{1/3}\rm{Sb}_{2/3})_{0.05}(\rm{Zr}_{0.54}\rm{Ti}_{0.46})_{0.95}]O_3$ and lead manganese antimonite as an additional dopant, synthesized by ceramic route have been investigated in a frequency range from 50Hz to 1MHz and in a temperature range between room temperature and 633K. The scanning electron micrograph of the sample taken at the room temperature confirms the formation of a fairly homogenous structure and well-formed grains with sharp boundaries. From the Rietveld analysis, it was found that the structure of the material is tetragonal with space group P4mm. The scaling behavior of imaginary part of the electric modulus suggests that the relaxation is described by the same mechanism at various temperatures. The values of the electromechanical coupling factor ($\rm{k_p}$), the high mechanical quality factor ($\rm{Q_m}$) and the piezoelectric coefficient ($\rm{d}_{33}$) of the synthesized sintered & poled ceramics gives a good set of values for the piezoelectric properties when compared with related materials, useful for various interesting piezoelectric device applications.

cond-mat.mtrl-sci↗

arXiv2013

Electronic Structure of Ordered Double Perovskite Ba2CoWO6

Ba2CoWO6 (BCoW) has been synthesized in polycrystalline form by solid state reaction at 1200C. Structural characterization of the compound was done through X-ray diffraction (XRD) followed by Rietveld analysis of the XRD pattern. The crystal structure is cubic, space group Fm-3m (No 225) with the lattice parameter, a=8.210A. Optical band-gap of the present system has been calculated using the UV-Vis Spectroscopy and Kubelka-Munk function, its value being 2.45 eV. A detailed study of the electronic properties has also been carried out using the density functional theory (DFT) techniques implemented on WIEN2k. Importance of electron-electron interaction between the Co ions leading to half-metallic behavior, crystal and exchange splitting together with the hybridization between O and Co, W has been investigated using the total and partial density of states.

cond-mat.mtrl-sci↗

arXiv2011

Magnetic excitations in iron pnictides

Spin wave dispersion and damping are investigated in the metallic SDW state of different itinerant electron models including a small interlayer hopping. Magnetic excitations in iron pnictides are shown to be well understood in terms of physical mechanisms characteristic of metallic magnets, such as carrier-induced ferromagnetic spin couplings, intra-band particle-hole excitations, and the spin-charge coupling mechanism, which is also important in ferromagnetic manganites.

cond-mat.str-el↗

arXiv2011

Exact eigenstate analysis of finite-frequency conductivity in graphene

We employ the exact eigenstate basis formalism to study electrical conductivity in graphene, in the presence of short-range diagonal disorder and inter-valley scattering. We find that for disorder strength, $W \ge$ 5, the density of states is flat. We, then, make connection, using the MRG approach, with the work of Abrahams \textit{et al.} and find a very good agreement for disorder strength, $W$ = 5. For low disorder strength, $W$ = 2, we plot the energy-resolved current matrix elements squared for different locations of the Fermi energy from the band centre. We find that the states close to the band centre are more extended and falls of nearly as $1/E_l^{2}$ as we move away from the band centre. Further studies of current matrix elements versus disorder strength suggests a cross-over from weakly localized to a very weakly localized system. We calculate conductivity using Kubo Greenwood formula and show that, for low disorder strength, conductivity is in a good qualitative agreement with the experiments, even for the on-site disorder. The intensity plots of the eigenstates also reveal clear signatures of puddle formation for very small carrier concentration. We also make comparison with square lattice and find that graphene is more easily localized when subject to disorder.

cond-mat.str-el↗

arXiv2007

Fermionic representation for the ferromagnetic Kondo lattice model -- diagrammatic study of spin-charge coupling effects on magnon excitations

A purely fermionic representation is introduced for the ferromagnetic Kondo lattice model which allows conventional diagrammatic tools to be employed to study correlation effects. Quantum 1/S corrections to magnon excitations are investigated using a systematic inverse-degeneracy expansion scheme which incorporates correlation effects in the form of self-energy and vertex corrections, while explicitly preserving the continuous spin-rotation symmetry. Magnon self-energy is studied in the full range of interaction strength, and shown to result in strong magnon damping and anomalous softening for zone boundary modes, which accounts for several zone-boundary anomalies observed in recent spin-wave measurements of ferromagnetic manganites.

cond-mat.str-el↗

arXiv2005

Uplifting the Iwasawa

The Iwasawa manifold is uplifted to seven-folds of either G_2 holonomy or SU(3) structure, explicit new metrics for the same having been constructed in this work. We uplift the Iwasawa manifold to a G_2 manifold through "size" deformation (of the Iwasawa metric), via Hitchin's Flow equations, showing also the impossibility of the uplift for "shape" and "size" deformations (of the Iwasawa metric). Using results of [1], we also uplift the Iwasawa manifold to a 7-fold with SU(3) structure through "size" and "shape" deformations via generalisation of Hitchin's Flow equations. For seven-folds with SU(3)-structure, the result could be interpreted as M5-branes wrapping two-cycles embedded in the seven-fold - a warped product of either a special hermitian six-fold or a balanced six-fold with the unit interval. There can be no uplift to seven-folds of SU(3) structure involving non-trivial "size" and "shape" deformations (of the Iwasawa metric) retaining the "standard complex structure" - the uplift generically makes one move in the space of almost complex structures such that one is neither at the standard complex structure point nor at the "edge". Using the results of [2] we show that given two "shape deformation" functions, and the dilaton, one can construct a Riemann surface obtained via Weierstrass representation for the conformal immersion of a surface in R^l, for a suitable l, with the condition of having conformal immersion being a quadric in CP^{l-1}.

hep-th↗