random access memory (RAM), solid-state disks (SSDs), high-frequency (5G) antennas, photovoltaics, and light-emitting diodes (LEDs).1,2Their utility hinges on the intricate balance between the dielectric constant and band gap, two anti-correlated properties that rarely...
The electronic band structure, crystal orbital Hamilton population (COHP), high-frequency dielectric constants ϵ∞, and deformation potentials are calculated using PBEsol functional with 12 × 12 × 12 k-point meshes. The elastic constants Cij, static dielectric constants ϵs, and effec...
Precise integration of two-dimensional (2D) semiconductors and high-dielectric-constant (k) gate oxides into three-dimensional (3D) vertical-architecture arrays holds promise for developing ultrascaled transistors1,2,3,4,5, but has proved challenging. Here we report the epitaxial synthesis of vertica...
g Frequency-dependent capacitance and h corresponding dielectric constant curves. i Current–voltage curve of a hole-only Cs3Bi2I9 PSC device. The top-left inset provides an illustration for the hole-only device structure Au/Cs3Bi2I9 PSC/Au. Full size image In order to identify the trap ...
whereωis the phonon frequency at wave vectorqand mode indexλ. We adopt Phono3py31routine to obtain the mode Grüneisen parameters. Phono3py calculates the derivative of phonon frequency with respect to unit cell volume by computing the derivative of the dynamical matrix with 3rd-order IFCs and...
The effective cluster interactions and dielectric constant were obtained from a L1-regularized least-squares regression,38 with the regularization parameters chosen to minimize cross-validation error.38 By this procedure, a root-mean-squared error below 7 meV/atom has been obtained. The DFT ...
where ε1(ω)subscript𝜀1𝜔\varepsilon_{1}(\omega) and ε2(ω)subscript𝜀2𝜔\varepsilon_{2}(\omega) are the real and imaginary parts of the dielectric function, and ω𝜔\omega is the photon frequency. Within the one-electron picture, the imaginary part of the dielectric...
whereωis the phonon frequency at wave vectorqand mode indexλ. We adopt Phono3py31routine to obtain the mode Grüneisen parameters. Phono3py calculates the derivative of phonon frequency with respect to unit cell volume by computing the derivative of the dynamical matrix with 3rd-order IFCs and...
Materials science exploits only properties that are available at ambience. Therefore, although high-pressure changes the physical state of all condensed matter, most of the extraordinary properties discovered vanish after decompression and cannot be util
Frequency dependency ofadielectric constant andbloss tangent (tanδ) of PVDF and PBPBP films. Comparison ofcloss tangent (tanδ) at 0.1 Hz under various temperature anddactivation energy derived from Arrhenius plots (lnfmaxvs. 1/T) of PVDF and PBPBP films ...