Structural stability, elastic and electronic properties of zincblende (GaN)1/(ZnO)1 superlattice: Modified Becke–Johnson exchange potential

Band-Gap Reduction in (BiCrO3)m/(BiFeZhang1, Xiao2, Peng3 et al. 2018Phys. Rev. Applied392150View full textAdd to dashboardCite

“…4(a) Furthermore, the obtained value (1.59 -1.96 eV) is also substantially smaller than that of the alloyed Bi(Fe,Cr)O 3 sample [27]. Similar results wherein the band gap of a composite compound is smaller than that of the parent materials have also been reported in superlattices of (GaN) 1 /(ZnO) 1 [65] and (0001)-oriented wurtzite For (BCO) m /(BFO) 1 superlattices, the interlayer distances between BCO layers are comparable to that of bulk BCO and the interlayer distances between BFO layer are much smaller than that of bulk BFO, i.e., the tensile strain of BFO dominates in the (BCO) m /(BFO) 1 superlattices and the tensile strain increases with the increasing layer number of BCO. As for (BCO) 1 /(BFO) n superlattices, the interlayer distances between BFO layers are comparable to that of bulk BFO and the interlayer distances between BCO layer are much larger than that of bulk BCO, i.e., the compressive strain of BCO dominates in the (BCO) 1 /(BFO) n superlattices and the compressive strain increases with the increasing layer number of BFO.…”

Detection of zinc blende phase by the pulsed laser photoacoustic technique in ZnO thin films deposited via pulsed laser deposition

“…As it can be seen, there are very few experimental data available related to the lattice parameter for B3 structure, and nearly all information about this structure are simulations as exposed also the works of Kuang [1] and Boufatah [41].…”

Theoretical exploration of inherent electronic, structural, mechanical, thermoelectric, and thermophysical response of KRu4Z12 (Z = As12, Sb12) filled skutterudite materials

“…Due to the highly cubic symmetry of KRu 4 As 12 and KRu 4 Sb 12 , only three independent elastic constants are required, namely C 11 , C 12 , and C 44 . Using Born–Huang stability criteria condition: 48,49 C 11 – C 12 > 0; C 44 > 0; +2 C 12 > 0…”

“…Table 2 presents the calculated values of B and G . 52 The Young's modulus and Poisson ratio can be determined through mathematical formulation: …”

“…The presented V t and V l are transverse and longitudinal velocities calculated using Navier's equation. 52 …”