arXiv subjects

S. Raza

Publications and source records attributed to S. Raza.

7 recordsLinked to original sources

arXiv2021

Ewald summation for ferroelectric perovskites with charges and dipoles

Ewald summation is an important technique used to deal with long-range Coulomb interaction. While it is widely used in simulations of molecules and solid state materials, many important results are dispersed in literature and their implementations are often buried deep in large software packages. Since reliable and systematic calculation of Coulomb interaction is critical for the investigation of perovskites, here we start from the fundamentals of Ewald summation and derive clear expressions for long-range charge-charge, dipole-dipole, and charge-dipole interactions, which can be readily used for numerical computations. We also provide the interaction matrix for efficient Monte Carlo simulations involving charges and dipoles, implementing them in a Python software package. A new type of interaction matrix, which accounts for the electrostatic energy change when ions are displaced, is also derived and implemented. These results are the foundations for the investigation of ferroelectric perovskites.

cond-mat.mtrl-sci↗

arXiv2020

ATiO$_{3}$/TiO (A=Pb, Sn) superlattice: bridging ferroelectricity and conductivity

We propose to insert TiO layers to perovskite ATiO$_{3}$ to form a superlattice and use first-principles calculations to investigate its basic properties. Our computational analysis shows that the structure, which consists of repeated ATiO_{3} and TiO layers, has strong anisotropic conductivity. The structure immediately suggests a possible control of its conductivity by ion displacements related to its intrinsic ferroelectricity. In addition, we have obtained the structural information of its low-energy phases with the aid of phonon calculation and examined their evolution with epitaxial strain. Since the number of possible combinations is huge, we have therefore suggested an approach to mix perovskites and simpler metal-oxides to build materials with novel properties.

cond-mat.mtrl-sci↗

arXiv2014

Effects of Neutrino Inverse Seesaw Mechanism on the Sparticle Spectrum in CMSSM and NUHM2

We study the implications of the inverse seesaw mechanism (ISS) on the sparticle spectrum in the Constrained Minimal Supersymmetric Standard Model (CMSSM) and Non-Universal Higgs Model (NUHM2). Employing the maximal value of the Dirac Yukawa coupling involving the up type Higgs doublet provides a 2-3 GeV enhancement of the lightest CP-even Higgs boson mass. This effect permits one to have lighter colored sparticles in the CMSSM and NUHM2 scenarios with LSP neutralino, which can be tested at LHC14. We present a variety of LHC testable benchmark points with the desired LSP neutralino dark matter relic abundance.

hep-ph↗

arXiv2013

Nonlocal response in plasmonic waveguiding with extreme light confinement

We present a novel wave equation for linearized plasmonic response, obtained by combining the coupled real-space differential equations for the electric field and current density. Nonlocal dynamics are fully accounted for, and the formulation is very well suited for numerical implementation, allowing us to study waveguides with subnanometer cross-sections exhibiting extreme light confinement. We show that groove and wedge waveguides have a fundamental lower limit in their mode confinement, only captured by the nonlocal theory. The limitation translates into an upper limit for the corresponding Purcell factors, and thus has important implications for quantum plasmonics.

physics.optics↗

arXiv2012

Nanoplasmonics beyond Ohm's law

In tiny metallic nanostructures, quantum confinement and nonlocal response change the collective plasmonic behavior with important consequences for e.g. field-enhancement and extinction cross sections. We report on our most recent developments of a real-space formulation of an equation-of-motion that goes beyond the common local-response approximation and use of Ohm's law as the central constitutive equation. The electron gas is treated within a semi-classical hydrodynamic model with the emergence of a new intrinsic length scale. We briefly review the new governing wave equations and give examples of applying the nonlocal framework to calculation of extinction cross sections and field enhancement in isolated particles, dimers, and corrugated surfaces.

physics.optics↗

arXiv2012

Refractive-index sensing with ultra-thin plasmonic nanotubes

We study the refractive-index sensing properties of plasmonic nanotubes with a dielectric core and ultra-thin metal shell. The few-nm thin metal shell is described by both the usual Drude model and the nonlocal hydrodynamic model to investigate the effects of nonlocality. We derive an analytical expression for the extinction cross section and show how sensing of the refractive index of the surrounding medium and the figure-of-merit are affected by the shape and size of the nanotubes. Comparison with other localized surface plasmon resonance sensors reveals that the nanotube exhibits superior sensitivity and comparable figure-of-merit.

physics.optics↗

arXiv2010

Coupled-resonator optical waveguides: Q-factor and disorder influence

Coupled resonator optical waveguides (CROW) can significantly reduce light propagation pulse velocity due to pronounced dispersion properties. A number of interesting applications have been proposed to benefit from such slow-light propagation. Unfortunately, the inevitable presence of disorder, imperfections, and a finite Q value may heavily affect the otherwise attractive properties of CROWs. We show how finite a Q factor limits the maximum attainable group delay time; the group index is limited by Q, but equally important the feasible device length is itself also limited by damping resulting from a finite Q. Adding the additional effects of disorder to this picture, limitations become even more severe due to destructive interference phenomena, eventually in the form of Anderson localization. Simple analytical considerations demonstrate that the maximum attainable delay time in CROWs is limited by the intrinsic photon lifetime of a single resonator.

physics.optics↗