Related papers: Second-Order Nonlinear Optics from First Principle…
We present in detail the formulation of the ab initio theory we have developed for the calculation of the macroscopic second-order susceptibility $\chi^{(2)}$. We find a general expression for $\chi^{(2)}$ valid for any fields, containing…
We present a general scheme for the computation of the time dependent (TD) quadratic susceptibility ($\chi^{(2)}$) of an extended insulator obtained by applying the `$2n+1$' theorem to the action functional as defined in TD density…
We present a full formalism for the calculation of the linear and second-order optical response for semiconductors and insulators. The expressions for the optical susceptibilities are derived within perturbation theory. As a starting point…
The second-order nonlinear optical susceptibility ($\chi_{abc}^{(2)}$) and linear electro-optical coefficient ($r_{abc}$) of a large number of single-walled zigzag, armchair and chiral SiC nanotubes (SiC-NTs) as well as bulk SiC polytypes…
The second-order optical susceptibility of semiconductors $\chi_{ijk}^{(2)}(-2\omega;\omega,\omega)$ finds application in metrology, spectroscopy, telecommunications, material characterization, and quantum information. Pioneering…
The calculation of the third order susceptibility still is a long standing fundamental problem of particular importance in nonlinear nanooptics: Indeed, cancellation of size-dependent terms coming from uncorrelated excitations is expected,…
Using Time Independent Density Functional Theory (TIDFT) it is shown that the 2nd order optical susceptibilities of narrow (1nm-2nm) Silicon Nanowires (SiNW) are enhanced due to surface termination. The value of $\chi^{(2)}$ is enhanced up…
Non-resonant second harmonic generation phase and amplitude measurements obtained from the silica:water interface at varying pH and 0.5 M ionic strength point to the existence of a nonlinear susceptibility term, which we call chi(3)X, that…
Second-order nonlinear spectroscopy has proven to be a powerful tool in elucidating key chemical and structural characteristics at a variety of interfaces. However, the presence of interfacial potentials may lead to complications regarding…
We calculate the higher order moments in a sequence of models where the initial density fluctuations are drawn from a chi^2_nu distribution with a power-law power spectrum. For large values of nu the distribution is approximately gaussian,…
We develop a generalized Ginzburg-Landau theory for second harmonic generation (SHG) in magnets by expanding the free energy in terms of the order parameter in the magnetic phase and the susceptibility tensor in the corresponding…
The second-order formula of Minkowski functionals in weakly non-Gaussian fields is compared with the numerical $N$-body simulations. Recently, weakly non-Gaussian formula of Minkowski functionals is extended to include the second-order…
The second-order nonlinear optical susceptibility $\Pi^{(2)}$ for second harmonic generation is calculated for gapped graphene. The linear and second-order nonlinear plasmon excitations are investigated in context of second harmonic…
This work presents the Second-Order Sensitivity Analysis Methodology (2nd-ASAM) for nonlinear systems. This methodology yields exactly and efficiently the second-order functional derivatives of system responses (associated with physical,…
We present the galaxy number overdensity up to second order in redshift space on cosmological scales for a concordance model. The result contains all general relativistic effects up to second order that arise from observing on the past…
First-principles calculation of nonlinear magneto-optical effects has become an indispensable tool to reveal the geometric and topological nature of electronic states and to understand light-matter interactions. While intriguingly rich…
We present the second-order general relativistic description of the observed galaxy number density in a cosmological framework. The observed galaxy number density is affected by the volume and the source effects, both of which arise due to…
We compute from first principles the infrared dispersion of the nonlinear susceptibility $\chi^{(2)}$ in zincblende semiconductors. At terahertz frequencies the nonlinear susceptibility depends not only on the purely electronic response…
The non-linear response of infinite periodic solids to homogenous electric fields and collective atomic displacements is discussed in the framework of density functional perturbation theory. The approach is based on the 2n + 1 theorem…
The development of nanomaterials with a large nonlinear susceptibility is essential for nonlinear nanophotonics. We show that transition-metal-dichalcogenide (TMD) nanotriangles have a large effective second-order susceptibility…