Related papers: Least action principle for envelope functions in a…
In this paper a multi-band envelope-function Hamiltonian for lattice-matched semiconductor heterostructures is derived from first-principles norm-conserving pseudopotentials. The theory is applicable to isovalent or heterovalent…
The envelope function method traditionally employs a single basis set which, in practice, relates to a single material because the $k\cdot p$ matrix elements are generally only known in a particular basis. In this work, we defined a basis…
Method of invariants is used to obtain effective kp-Hamiltonian with position-dependent band parameters and correct boundary conditions for electron and hole envelope functions in A3B5-heterostructures with arbitrary interface orientation.…
The envelope-function method with generalized boundary conditions is applied to the description of localized and resonant interface states. A complete set of phenomenological conditions which restrict the form of connection rules for…
Breaking reciprocity in the microwave frequency range will have important implications for modern electronic systems. Since it usually involves bulky biasing magnets or complex spatial-temporal modulations, exploring a lightweight,…
Finding a proper solution concept for the multi-dimensional barotropic compressible Euler equations and related systems is still an unsolved problem. As revealed by convex integration, the classical notion of an admissible weak solutions…
Virtually all organic (opto)electronic devices rely on organic/inorganic interfaces with specific properties. These properties are, in turn, inextricably linked to the interface structure. Therefore, a change in structure can introduce a…
A procedure to obtain single-electron wavefunctions within the tight-binding formalism is proposed. It is based on linear combinations of Slater-type orbitals whose screening coefficients are extracted from the optical matrix elements of…
A new electronic structure principle, viz. the minimum magnetizability principle (MMP) has been proposed and also has been verified through ab initio calculations, to extend the domain of applicability of the conceptual density functional…
This paper introduces for the first time the concepts of non-coherent interfaces and microstructure-driven interface forces in the framework of micromorphic elasticity. It is shown that such concepts are of paramount importance when…
We have derived general boundary conditions (BC) for the multiband envelope functions (which do not contain spurious solutions) in semiconductor heterostructures with abrupt heterointerfaces. These BC require the conservation of the…
In many strongly correlated electron systems, non-Fermi liquid behavior and unconventional superconductivity can be viewed as emerging from an effective 4-fermion interaction with a singular frequency dependence. A pairing instability in…
Two well-known conceptual conundrums of quantum mechanics referred to as instantaneous action-at-a-distance and inseparable wave-particle character are tackled using the principle of least action. Since any measurement is an action, it is…
The method of effective interaction, traditionally used in the framework of an harmonic oscillator basis, is applied to the hyperspherical formalism of few-body nuclei (A=3-6). The separation of the hyperradial part leads to a state…
We derive an exact expression for the orbital magnetization of electrons with short-range interactions (such as density-density interactions) in terms of exact zero-frequency response functions of the zero-field system. The result applies…
A new model for calculating the structure of bound states of interacting particles is considered. The model takes into account the noncommutativity of the space and impulse operators plus the correlation equations for the indeterminacy of…
Elasticity theory provides an accurate description of the long-wavelength vibrational dynamics of homogeneous crystalline solids, and with supplemental boundary conditions on the displacement field can also be applied to abrupt…
We test a set of multiconfigurational wavefunction approaches for calculating the ground state electron population for a two-site Anderson model representing a molecule on a metal surface. In particular, we compare (i) a Hartree Fock like…
We suggest that the physically irrelevant choice of a representative worldline of a relativistic spinning particle should correspond to a gauge symmetry in an action approach. Using a canonical formalism in special relativity, we identify a…
The electronic band structure of many compounds, e.g., carbon-based structures, can exhibit essentially no dispersion. Models of electrons in flat-band lattices define non-perturbative strongly correlated problems by default. We construct a…