School Of Basic And Applied Sciences

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Author: search.filters.author.Kumar, AshokSubject: search.filters.subject.Electric fields

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    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, Ashok
    In 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.
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    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, Ravindra
    Van 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.