Electric field-induced electronic-thermoelectric-optical properties of typical isoelectronic HNC6 monolayers: A theoretical study

Mondal, Niladri Sekhar; Nath, S.; Chowdhury, Suman; Jana, Debnarayan

doi:10.1016/j.apsusc.2021.152094

Cited by 8 publications

(19 citation statements)

References 63 publications

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“…192m at E = 0.875 V Å À1 for HPC 6 and HPSi 6 , respectively (m = free electron mass). These are much higher than the values predicted for HNC 6 structures [42] and nearly close to the values obtained for PC 6 and AsC 6 structures. [60] To compare the bandgap engineering with other 2D buckled structures in presence of an external electric field, we have calculated the rate of bandgap opening for HPC 6 and HPSi 6 systems which are 0.10 and 0.075 eÅ respectively.…”

Section: Structuressupporting

confidence: 80%

“…eV) for HNC 6 structure as reported in the study of Mondal et al [42] There are a few minor peaks around ω = 4 eV for parallel polarization due to π À π Ã interband transition.…”

Section: Optical Propertiessupporting

confidence: 61%

“…These values are smaller in magnitude than that calculated for HNC 6 structure. [42] In presence of an external field, the values of PF are enhanced in μ > E f than μ < E f regime for the HPSi 6 system. However, a decreasing trend has been addressed for the HPSi 6 system at E = 1.0 V Å À1 due to the balance between the Seebeck coefficient and electrical conductivity (Figure 10).…”

Section: Power Factormentioning

confidence: 88%

“…The validity and reliability of the BoltzTraP code are discussed earlier. [34,42,[49][50][51][52] For the optical properties, we have used the random phase approximation (RPA) approach using Troullier-Martins type [53,54] norm-conserving (NC) pseudopotentials. A PBE exchange-correlation and kinetic energy cutoff for the wave function of 60 Ry have been taken.…”

Section: Methodsmentioning

confidence: 99%

“…[33][34][35][36][37][38] The application of electric field in tuning the electronic properties has been successfully applied for theoretical studies of silicene, germanene, bilayer-graphene, T-Germanene, HNC 6 monolayers, etc. [34,[39][40][41][42] In this work, we have applied a transverse electric field in the buckled HPX 6 monolayer to observe significant change in electronic and associated properties. In this article, we have critically investigated the electronic and thermoelectric properties of all HPX 6 systems influenced by an external electric field and compared them with their pristine counterpart in the absence of any external field.…”

Section: Introductionmentioning

confidence: 99%

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Electric Field‐Induced Phase Transition on HPX₆ (X = C, Si, Ge, Sn) Monolayers

Basak

Nath²,

Mondal

et al. 2023

Physica Status Solidi (b)

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Herein, the electronic, thermoelectric, and optical properties of semimetallic HPX6 (X = C, Si, Ge, Sn) monolayers are systematically studied under the influence of external electric field in the framework of density functional theory. A band tuning has been achieved in these structures by the application of an external electric field of appropriate strength. It is predicted that Dirac cone splitting is nearly proportional to the external electric field strength. The modulation of electric properties induced by external field can alter the position of chemical potential in the band diagram and brings significant improvement in thermoelectric responses. The application of an external electric field significantly modulates the optical properties. The electric field‐induced HPX6 system provides better thermoelectric and optical response for nanodevice applications.