相关论文: Effective-Medium Theory with No Approximation for …
We present an effective medium theory based on density functional theory that is implemented in VASP using the PAW method with a plane wave basis set. The transmission coefficient is derived through three complementary approaches: the…
We introduce DMET, a new quantum embedding theory for predicting ground-state properties of infinite systems. Like dynamical mean-field theory (DMFT), DMET maps the the bulk interacting system to a simpler impurity model and is exact in the…
The ability to extract materials just a few atoms thick has led to discovery of graphene, monolayer transition metal dichalcogenides (TMDs), and other important two-dimensional materials. The next step in promoting understanding and utility…
The effective medium representation is fundamental in providing a performance-to-design approach for many devices based on metamaterials. While there are recent works in extending the effective medium concept into the temporal domain, a…
Dynamical mean-field theory (DMFT) is a non-perturbative technique for the investigation of correlated electron systems. Its combination with the local density approximation (LDA) has recently led to a material-specific computational scheme…
It is discussed that the classical effective medium theory for the elastic properties of random heterogeneous materials is not congruous with the effective medium theory for the electrical conductivity. In particular, when describing the…
A new approach for the parallel forward modeling of transient electromagnetic (TEM) fields is presented. It is based on a family of uniform-in-time rational approximants to the matrix exponential that share a common denominator independent…
The accuracy of density-functional theory (DFT) is determined by the quality of the approximate functionals, such as exchange-correlation in electronic DFT and the excess functional in the classical DFT formalism of fluids. The exact…
Effective-medium theories for electromagnetic constitutive parameters of particulate composite materials are theories of averages. Standard deviations are absent because of the lack of rigorous theories. But ensemble averages and standard…
The Transfer Matrix Method (TMM) stands as the ubiquitous computational backbone for analyzing 1D wave propagation in layered media, underpinning critical product designs in photonics, seismology, and acoustics -- industries collectively…
This article provides the first mathematical analysis of the Density Matrix Embedding Theory (DMET) method. We prove that, under certain assumptions, (i) the exact ground-state density matrix is a fixed-point of the DMET map for…
Due to the infrared problem of high-temperature field theory, a robust study of the electroweak phase transition (EWPT) requires use of non-perturbative methods. We apply the method of high-temperature dimensional reduction to the two Higgs…
Unlike covalent two-dimensional (2D) materials like graphene, 2D metals have non-layered structures due to their non-directional, metallic bonding. While experiments on 2D metals are still scarce and challenging, density-functional theory…
The physical pictures of eigen-mode theory (EMT) and the conventional characteristic mode theory (CMT) reveal a fact that: the EMT and CMT are the modal theories for electromagnetic wave-guiding and scattering (for details, please see the…
Two-dimensional (2D) materials are particularly attractive to build the channel of next-generation field-effect transistors (FETs) with gate lengths below 10-15 nm. Because the 2D technology has not yet reached the same level of maturity as…
We introduce Extended Density Matrix Embedding Theory (EDMET), a static quantum embedding theory explicitly self-consistent with respect to local two-body physics. This overcomes the biggest practical and conceptual limitation of more…
Radial Bragg gratings are commonly used to enhance light extraction from quantum emitters, but lack a well-suited, fast simulation method for optimization beyond periodic designs. To overcome this limitation, we propose and demonstrate an…
The optical nonlocality in symmetric metal-dielectric multilayer metamaterials is theoretically and experimentally investigated with respect to transverse-magnetic-polarized incident light. A nonlocal effective medium theory is derived from…
All-dielectric metamaterials consisting of high-dielectric inclusions in a low-dielectric matrix are considered as a low-loss alternative to resonant metal-based metamaterials. In this contribution we investigate the applicability of the…
In this study, we illustrate the effective medium theories in the designs of three-dimensional composite metametails of both negative permittivity and permeability. The proposed metamaterials consist of coated spheres embedded in a…