Related papers: Mini-bandstructure tailoring in pi-conjugated peri…
Synthetic crystal lattices provide ideal environments for simulating and exploring the band structure of solid-state materials in clean and controlled experimental settings. Physical realisations have, so far, dominantly focused on…
A conceptually appealing and computationally economical course-grained molecular-orbital (MO) theory for extended quasi-linear molecular heterostructures is presented. The formalism, which is based on a straightforward adaptation, by…
This paper advocates for an innovative approach designed for estimating optoelectronic properties of quantum structures utilizing Tight-Binding (TB) theory. Predicated on the comparative analysis between estimated and actual properties, the…
The optimized effective potential (OEP) method allows for calculation of the local, effective single particle potential of density functional theory for explicitly orbital-dependent approximations to the exchange-correlation energy…
This paper presents a numerical implementation of a first-principles envelope-function theory derived recently by the author [B. A. Foreman, Phys. Rev. B 72, 165345 (2005)]. The examples studied deal with the valence subband structure of…
We develop a symmetry indicator framework to efficiently predict the topology of superlattice-induced minibands with spin-orbit coupling. Our algorithm requires input only from the parent material before the superlattice is applied. The…
In this paper, we propose a parallel optimization method for electronic structure calculations based on a single orbital-updating approximation. It is shown by our numerical experiments that the method is efficient and reliable for atomic…
We introduce a general method for designing tailored lattices of magnetic microtraps for ultracold atoms, on the basis of patterned permanently magnetized films. A fast numerical algorithm is used to automatically generate patterns which…
We propose an optical method of shining circularly polarized and spatially periodic laser fields to imprint superlattice structures in two-dimensional electronic systems. By changing the configuration of the optical field, we synthesize…
Hexagonal optical lattices offer a tunable platform to study exotic orbital physics in solid state materials. Here, we present a versatile high-precision scheme to implement a hexagonal optical lattice potential, which is engineered by…
We propose a molecular setup for the physical implementation of a barrier global quantum computation scheme based on the electron-doped pi-conjugated copolymer architecture of nine blocks PPP-PDA-PPP-PA-(CCH-acene)-PA-PPP-PDA-PPP (where…
The self-assembly of binary nanoparticle superlattices from colloidal mixtures is a promising method for the fabrication of complex colloidal co-crystal structures. However, binary mixtures often form amorphous or metastable phases instead…
We report on the design, fabrication and characterization of magnetic nanostructures to create a lattice of magnetic traps with sub--micron period for trapping ultracold atoms. These magnetic nanostructures were fabricated by patterning a…
Computational methods for designing interactions between colloidal particles that induce self-assembly have received much attention for their promise to discover tailored materials. However, it often remains a challenge to translate…
Atomic orbitals underpin our understanding of electronic structure, providing intuitive descriptions of bonding, charge transfer, magnetism, and correlation effects. Despite their utility, an atomic basis that is adaptable, strictly…
A cornerstone of advanced materials design is establishing a framework for assembling nanoparticle superstructures with tailored symmetries. A longstanding challenge has been assembling diamond-like superstructures for photonic devices.…
We study the reliability of the constrained random phase approximation (cRPA) method for the calculation of low-energy effective Hamiltonians by considering multi-orbital lattice models with one strongly correlated "target" band and two…
Quantum computers promise to revolutionize our ability to simulate molecules, and cloud-based hardware is becoming increasingly accessible to a wide body of researchers. Algorithms such as Quantum Phase Estimation and the Variational…
A poly(styrene-block-methylmethacrylate) diblock copolymer in the hexagonal cylindrical phase has been used as a mask for preparing a periodic gate on top of a Ga[Al]As-heterostructure. A superlattice period of 43 nm could be imposed onto…
We demonstrate facile optical manipulation of shape of birefringent colloidal microparticles made from liquid crystal elastomers. Using soft lithography and polymerization, we fabricate elastomeric microcylinders with weakly undulating…