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- W4372279762 endingPage "115757" @default.
- W4372279762 startingPage "115757" @default.
- W4372279762 abstract "Present work reports the realization of Rashba splitting and giant quantum capacitance in Tellurene bilayer derivatives (TBD). First principal calculations are performed to examine the structural, electronic and capacitance properties of Tellurene bilayer derivatives. Dynamical stability of Tellurene bilayer derivatives was ascertained by examining their phonon spectrum. These derivatives exhibit indirect band gap in the IR region, characteristic feature of chalcogenide materials. PBE and HSE06 functional show similar energy band dispersions. Te2Se–Te2S hetero bilayer reveals SOC induced Rashba splitting with αR = 0.66 eVÅ, which is quite large than the value reported in literature for different monolayer's and hetero structures. Orbital character distribution of band structure shows that 3px and 3py orbital's of Sulphur contribute to the valley splitting and 5py and 5pz orbital's of Tellurium contribute for Rashba spin splitting. Opposite orientation of spin components in spin textures of inner and outer bands affirm the Rashba spin splitting. Computed quantum capacitance (CQ), 513 μFcm−2, outgrows the values reported for other 2D materials. Surface charge density is symmetric and show significant increase with increase in potential. Our results show that investigated TBDs are suitable candidates for anode and cathode applications in super capacitors. Applied electric field tune the band gap and enhance the Rashba splitting. Te2S–Te2S, Te2S–Te2Se and Te3–STe2 bilayers show semiconductor to metallic transition in the presence of applied electric field. Large value of Rashba parameter, 2.33 eVÅ, in Te2Se–Te2Se structure ascertains its use in spintronic devices. Present study suggests that the use of TBDs in super capacitors will enhance their energy storage capacity." @default.
- W4372279762 created "2023-05-07" @default.
- W4372279762 creator A5017793283 @default.
- W4372279762 creator A5032235750 @default.
- W4372279762 creator A5049679794 @default.
- W4372279762 creator A5085395772 @default.
- W4372279762 date "2023-08-01" @default.
- W4372279762 modified "2023-10-16" @default.
- W4372279762 title "Giant quantum capacitance and Rashba splitting in Tellurene bilayer derivatives" @default.
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