Using full-potential density functional calculations within local density approximation (LDA), we predict that mechanically tunable band-gap and quasi-particle-effective-mass are realizable in graphene/hexagonal-BN hetero-bilayer (C/h-BN HBL) by application of in-plane homogeneous biaxial strain. While providing one of the possible reasons for the experimentally observed gap-less pristine-graphene-like electronic properties of C/h-BN HBL, which theoretically has a narrow band-gap, we suggest a schematic experiment for verification of our results which may find applications in nano-electromechanical systems (NEMS), nano opto-mechanical systems (NOMS) and other nano-devices based on C/h-BN HBL.
The gravitational effects in the relativistic quantum mechanics are investigated in a relativistically derived version of Heaviside's speculative gravity ( in flat space-time) named here as "Maxwellian Gravity". The standard Dirac's approach to the intrinsic spin in the fields of Maxwellian Gravity yields the gravitomagnetic moment of a Dirac (spin 1 / 2 ) particle exactly equal to its intrinsic spin. Violation of The Equivalence Principle ( both at classical and Quantum-mechanical level ) in the relativistic domain has also been reported in this work.
The ground state structural and electronic properties of germanene (the germanium analogue of graphene) are investigated using first-principles calculations. On structure optimization, the graphene-like honeycomb structure of germanene turns out as buckled (buckling parameter Å) in contrast with graphene's planar structure (buckling parameter Å). In spite of this, germanene has similar electronic structure as that of graphene. While corroborating the reported results, we newly predict the in-plane contraction of hexagonal Ge with (thermal) stretching along the "c" axis, akin to a phenomenon observed in graphite.
Our First-principles Full-Potential Density Functional Theory (DFT) calculations show that a monolayer of ZnS (ML-ZnS), which is predicted to adopt a graphene-like planar honeycomb structure with a direct band gap, undergoes strain-induced modifications in its structure and band gap when subjected to in-plane homogeneous biaxial strain (δ). ML-ZnS gets buckled for compressive strain greater than 0.92%; the buckling parameter ∆ (= 0.00Å for planar ML-ZnS) linearly increases with increasing compressive strain (∆ = 0.435Å at δ = −5.25%). A tensile strain of 2.91% turns the direct band gap of ML-ZnS into indirect. Within our considered strain values of |δ| < 6%, the band gap shows linearly decreasing (non-linearly increasing as well as decreasing) variation with tensile (compressive) strain. These predictions may be exploited in future for potential applications in strain sensors and other nano-devices such as the nano-electromechanical systems (NEMS).
We present ab initio calculations which show that the direct-band-gap, effective masses and Fermi velocities of charge carriers in ZnO monolayer (ML-ZnO) in graphene-like honeycomb structure are all tunable by application of in-plane homogeneous biaxial strain. Within our simulated strain limit of ±10%, the band gap remains direct and shows a strong non-linear variation with strain. Moreover, the average Fermi velocity of electrons in unstrained ML-ZnO is of the same order of magnitude as that in graphene. The results promise potential applications of ML-ZnO in mechatronics/straintronics and other nano-devices such as the nano-electromechanical systems (NEMS) and nano-optomechanical systems (NOMS).
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