Related papers: Atomistic $k.p$ theory
Precise parameter estimation plays a central role in science and technology. The statistical error in estimation can be decreased by repeating measurement, leading to that the resultant uncertainty of the estimated parameter is proportional…
We present a method for total energy minimizations and molecular dynamics simulations based either on tight-binding or on Kohn-Sham hamiltonians. The method leads to an algorithm whose computational cost scales linearly with the system…
We develop a quantum mechanical theory to describe the optical response of semiconductor nanostructures with a particular emphasis on higher-order harmonic Generation. Based on a tight-binding approach we take all two-particle correlations…
We present a fully atomistic approach to exciton-phonon coupling in semiconductor quantum dots that bridges microscopic electronic-structure calculations with non-Markovian open-quantum-system dynamics. On the example of an InAsP quantum…
The paper gives a systematic review of the basic ideas of (non-relativistic) quantum mechanics including all changes that result from previous work of the authors. This shows that the new theory is self-consistent and (in certain sense)…
Artificial electronic lattices, created atom by atom in a scanning tunneling microscope, have emerged as a highly tunable platform to realize and characterize the lowest-energy bands of novel lattice geometries. Here, we show that…
We propose an experimental protocol for using cold atoms to create and probe quantum dimer models, thereby exploring the Pauling-Anderson vision of a macroscopic collection of resonating bonds. This process can allow the study of exotic…
Low-dimensional electron systems fabricated from quantum matter have in recent years become available and are being explored with great intensity. This article gives an overview of the fundamental properties of such systems and summarizes…
With the help of a tight-binding (TB) electronic-structure toy model we investigate the matching of parameters across hetero-interfaces . We demonstrate that the virtual crystal approximation, commonly employed for this purpose, may not…
Analytical complexity of quantum wavefunction whose argument is extended into the complex plane provides an important information about the potentiality of manifesting complex quantum dynamics such as time-irreversibility, dissipation and…
Simulating electronic behavior in materials and devices with realistic large system sizes remains a formidable task within the $ab$ $initio$ framework due to its computational intensity. Here we show DeePTB, an efficient deep learning-based…
We propose a new kind of toroidal trap, designed for ultracold atoms. It relies on a combination of a magnetic trap for rf-dressed atoms, which creates a bubble-like trap, and a standing wave of light. This new trap is well suited for…
When analyzing thermodynamic and kinetic properties of crystals whose anisotropy is not large and the considered effects do not relate to the existence of singled-out directions in crystals, one may use a more simple model of an isotropic…
Quantum state tomography is a technique in quantum information science used to reconstruct the density matrix of an unknown quantum state, providing complete information about the quantum state. It is of significant importance in fields…
Estimation of quantum states and measurements is crucial for the implementation of quantum information protocols. The standard method for each is quantum tomography. However, quantum tomography suffers from systematic errors caused by…
We report a novel hybrid method of simultaneous atomistic simulation of solids in critical regions (contacts surfaces, cracks areas, etc.), along with continuum modeling of other parts. The continuum is treated in terms of quasi-atoms of…
One unique feature of quantum mechanics is the Heisenberg uncertainty principle, which states that the outcomes of two incompatible measurements cannot simultaneously achieve arbitrary precision. In an information-theoretic context of…
Band theory provides the foundation for understanding electronic structure in crystalline materials, but its reliance on exact translational symmetry limits its applicability to systems with defects, disorder, incommensurate modulations, or…
An interpretation and re-formulation of modern physics which removes the presumption of the space-time continuum, and bases physical theory on a small number of rational and empirical principles. After briefly describing the philosophical…
We present a new theory for partitioning simulations of periodic and solid-state systems into physically sound atomic contributions at the level of Kohn-Sham density functional theory. Our theory is based on spatially localized linear…