School Of Basic And Applied Sciences
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Item First principles study of 2D ring-Te and its electrical contact with a topological Dirac semimetal(Royal Society of Chemistry, 2023-02-10T00:00:00) Singh, Jaspreet; Kumar, AshokIn recent years, researchers have manifested their interest in two-dimensional (2D) mono-elemental materials of group-VI elements because of their excellent optoelectronic, photovoltaic and thermoelectric properties. Despite the intensive recent research efforts, there is still a possibility of novel 2D allotropes of these elements due to their multivalency nature. Here, we have predicted a novel 2D allotrope of tellurium (ring-Te) using density functional theory. Its stability is confirmed by phonon and ab initio molecular dynamics simulations. Ring-Te has an indirect band gap of 0.69 eV (1.16 eV) at the PBE (HSE06) level of theories and undergoes an indirect-direct band gap transition under tensile strain. The higher carrier mobility of holes (?103 cm2 V?1 s?1), good UV-visible light absorption ability and low exciton binding (?0.35 eV) of ring-Te give rise to its potential applications in optoelectronic devices. Furthermore, the electrical contact of ring-Te with a topological Dirac semimetal (sq-Te) under the influence of an electric field shows that the Schottky barriers and contact types can undergo transition from p-type to n-type Schottky contact and then to ohmic contact at a higher electric field. Our study provides an insight into the physics of designing high-performance electrical coupled devices composed of 2D semiconductors and topological semimetals. � 2023 The Royal Society of Chemistry.Item Design and development of a compact ion implanter and plasma diagnosis facility based on a 2.45 GHz microwave ion source(American Institute of Physics Inc., 2021-05-25T00:00:00) Swaroop, Ram; Kumar, Narender; Rodrigues, G.; Kanjilal, D.; Banerjee, I.; Mahapatra, S.K.A project on developing a 2.45 GHz microwave ion source based compact ion implanter and plasma diagnostic facility has been taken up by the Central University of Punjab, Bathinda. It consists of a double-wall ECR plasma cavity, a four-step ridge waveguide, an extraction system, and an experimental beam chamber. The mechanical design has been carried out in such a way that both types of experiments, plasma diagnosis and ion implantation, can be easily accommodated simultaneously and separately. To optimize microwave coupling to the ECR plasma cavity, a four-step ridge waveguide is designed. Microwave coupling simulation for the ECR plasma cavity has been performed at different power inputs using COMSOL Multiphysics. An enhanced electric field profile has been obtained at the center of the ECR plasma cavity with the help of a four-step ridge waveguide compared to the WR284 waveguide. The magnetic field distribution for two magnetic rings and the extraction system's focusing properties have been simulated using the computer simulation technique. A tunable axial magnetic field profile has been obtained with a two permanent magnetic ring arrangement. The dependency of the beam emittance and beam current on accelerating voltages up to 50 kV has been simulated with different ions. It shows that ion masses have a great impact on the beam emittance and output current. This facility has provision for in situ plasma diagnosis using a Langmuir probe and optical emission spectroscopy setups. This system will be used for ion implantation, surface patterning, and studies of basic plasma sciences. � 2021 Author(s).Item Interfacial design of gold/silver core-shell nanostars for plasmon-enhanced photocatalytic coupling of 4-aminothiophenol(Royal Society of Chemistry, 2021-10-02T00:00:00) Kaur, Gagandeep; Tanwar, Swati; Kaur, Vishaldeep; Biswas, Rathindranath; Saini, Sangeeta; Haldar, Krishna Kanta; Sen, TapasiChemical reactions under mild conditions mediated by localized surface plasmon resonance (LSPR) of metals have emerged as a functional research field. In the present study, we report an interfacial designing procedure for the fabrication of a class of bimetallic hybrid nanomaterials as a profoundly active photocatalyst for the conversion of para-aminothiophenol (PATP) into 4,4?-dimercaptoazobenzene. For this purpose, core-shell nanostars composed of gold (core) and silver (shell) (Au/Ag NSs) were utilized as both surface-enhanced Raman scattering substrate and plasmon driven catalyst under 532 nm laser excitation. Au/Ag NSs with sharp tips display excellent surface-enhanced Raman scattering (SERS) efficiency of PATP. Employing the SERS study, it has been found that PATP rapidly converts into its dimerized product DMAB within few seconds by surface photochemical reaction in the Au-Ag heterojunction of core-shell nanostars. Au/Ag NSs with multiple sharp tips exhibit intense LSPR and highly strong electric fields are created at the tips, which enables the generation of hot electrons responsible for the rapid conversion reaction. Such well-designed interfacial bimetallic nanostars could have potential applications in surface enhanced spectroscopy, biosensing, and photoinduced surface catalysis. This journal is � The Royal Society of Chemistry.Item Stability and electronic properties of hybrid SnO bilayers: SnO/graphene and SnO/BN(Institute of Physics Publishing, 2017) Guo, Qing; Wang, Gaoxue; Kumar, Ashok; Pandey, RavindraVan der Waals structures based on two-dimensional materials have been considered as promising structures for novel nanoscale electronic devices. Two-dimensional SnO films which display intrinsic p-type semiconducting properties were fabricated recently. In this paper, we consider vertically stacked heterostructures consisting of a SnO monolayer with graphene or a BN monolayer to investigate their stability, electronic and transport properties using density functional theory. The calculated results find that the properties of the constituent monolayers are retained in these SnO-based heterostructures, and a p-type Schottky barrier is formed in the SnO/graphene heterostructure. Additionally, the Schottky barrier can be effectively controlled with an external electric field, which is useful characteristic for the van der Waals heterostructure-based electronic devices. In the SnO/BN heterostructure, the electronic properties of SnO are least affected by the insulating monolayer suggesting that the BN monolayer would be an ideal substrate for SnO-based nanoscale devices. ? 2017 IOP Publishing Ltd.Item Correlation between structural, magnetic and ferroelectric properties of Fe-doped (Ba-Ca)TiO3 lead-free piezoelectric(Elsevier Ltd, 2017) Keswani, B.C.; Devan, R.S.; Kambale, R.C.; James, A.R.; Manandhar, S.; Kolekar, Y.D.; Ramana, C.V.The effect of iron (Fe) doping modification on the structure and properties of Ba0.92Ca0.08TiO3 (BCT8) lead-free ferroelectrics is investigated in detail. Intrinsic BaTiO3 (BT) and Ba0.92Ca0.08TiO3 (BCT8) lead-free polycrystalline ceramics were synthesized by conventional solid-state chemical reaction method. The crystal structure, morphology, chemical composition and valence state, magnetic and ferroelectric properties of BCT8 ceramics were evaluated as a function of variable Fe-content (0–5 wt%). X-ray diffraction measurements coupled with Rietveld refinement analyses indicate that the BT, BCT8, and Fe-BCT8 ceramics crystallize in single phase tetragonal structure. Phase transformation occurs with higher Fe doping; Fe-BCT8 ceramics with 5 wt% Fe exhibits fully transformed orthorhombic structure. The crystal structure and phase formation of these ceramics was further confirmed by the Raman spectroscopic (RS) measurements. The RS data coupled with high-resolution X-ray photoelectron spectroscopic (XPS) analyses also confirm the formation of single phase materials without any presence of secondary or impurity phases. Microstructure imaging analyses indicate that the grain size was ∼1 μm, while agglomeration and inhomogeneous distribution were observed with Fe doping. Polarization-electric field (P-E) hysteresis and strain-electric field (S-E) hysteresis measurements revealed the ferroelectric and piezoelectric nature of the ceramics. Ferroelectric and piezoelectric properties were observed to be suppressed for Fe doped BCT8 ceramics due to the partial replacement of Ti4+ by Fe3+ as confirmed by the chemical analyses made using XPS. Temperature dependent dielectric measurements for Fe doped BCT8 show a drastic decrease in ferroelectric Curie temperature (Tc), along with a decrease in dielectric constant compared to that of undoped BCT8. Magnetization (M-H) measurements confirm the presence of long-range magnetic ordering for 5% Fe-doped BCT8 sample. The results demonstrate that addition of 5% Fe in lead-free BCT8 perovskite induces the magnetic ordering and a switchable ferroelectric state, which evidences the presence of multiferroic nature that can be used for four-bit memory and switching applications.