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The space- and temperature-dependent electron distribution $n(r,T)$ determines optoelectronic properties of disordered semiconductors. It is a challenging task to get access to $n(r,T)$ in random potentials, avoiding the time-consuming numerical solution of the Schr\"{o}dinger equation. We present several numerical techniques targeted to fulfill this task. For a degenerate system with Fermi statistics, a numerical approach based on a matrix inversion and that based on a system of linear equations are developed. For a non-degenerate system with Boltzmann statistics, a numerical technique based on a universal low-pass filter and one based on random wave functions are introduced. The high accuracy of the approximate calculations are checked by comparison with the exact quantum-mechanical solutions.

We have generalized the results of the previous work [arXiv:2302.12209] to the case of three-dimensional (3D) spacetime with two spatial and one temporal coordinates. We have found that the flat Minkowski 3D spacetime is "well-stitched", which means that it possesses a structure described by 24 causal relations between 12 events. We have proved that a 3D spacetime is "well-stitched" if and only if it is conformally flat. The concept of a "well-stitched" spacetime does not rely on metrical information about lengths, times, etc., and does not belong to the metric geometry, but rather to geometry of incidence. We therefore have "translated" an important concept of a conformally-flat spacetime from the "metric" language of Riemannian geometry to the "non-metric" language of the geometry of incidence. The results of this paper provide a tool for detecting the curvature of the 3D spacetime on the basis of causal relations only, without any measurement instruments like rulers and clocks, provided that the spacetime is not conformally flat., Comment: This is paper #2 in a series; paper #1 is arXiv:2302.12209

Here we show that the concepts behind such terms as entanglement, qubits, quantum gates, quantum error corrections, unitary time evolution etc., which are usually ascribed to quantum systems, can be adequately realized on a set of coupled classical pendulums., Comment: Supplementary Materials can be found in "Other Formats" -> source

An appropriately parameterized compact analytical equation (APAE) is suggested to account for charge carrier mobility in organic disordered semiconductors (ODSs). This equation correctly reproduces the effects of temperature $T$, carrier concentration $n$, and electric field $F$ on the carrier mobility $\mu(T,F,n)$, as evidenced by comparison with analytical theories and Monte Carlo simulations. The set of material parameters responsible for charge transport is proven to be at varience to those used in the so-called extended Gaussian disorder model (EGDM) approach, which is widely exploited in commercially distributed device--simulation algorithms. While EGDM is only valid for cubic lattices with a specific choice of parameters, APAE describes charge transport in systems with spatial disorder in a wide range of parameters. APAE is user-friendly and, thus, suitable for incorporation into device-simulation algorithms.

There are several ways to derive Einstein's celebrated formula for the energy of a massive particle at rest, $E=mc^2$. Noether's theorem applied to the relativistic Lagrange function provides an unambiguous and straightforward access to energy and momentum conservation laws but those tools were not available at the beginning of the twentieth century and are not at hand for newcomers even nowadays. In a pedestrian approach, we start from relativistic kinematics and analyze elastic and inelastic scattering processes in different reference frames to derive the relativistic energy-mass relation. We extend the analysis to Compton scattering between a massive particle and a photon, and a massive particle emitting two photons. Using the Doppler formula, it follows that $E=\hbar \omega$ for photons at angular frequency $\omega$ where $\hbar$ is the reduced Planck constant. We relate our work to other derivations of Einstein's formula in the literature.

We demonstrate how one can distinguish a curved 4-dimensional spacetime from a flat one, when it is possible, relying only on the causality relations between events. It is known that it is possible only for spacetimes that are not conformally flat. We prove that if a spacetime is not conformally flat, then its non-flatness can be verified by only a few (sixteen) measurements of causal relations. Therefore the results of this paper clarify what can be said about flatness or non-flatness of the spacetime after a finite number of measurements of causal relations., Comment: 21 pages, 8 figures

The space- and temperature-dependent electron distribution $n(\mathbf r,T)$ is essential for the theoretical description of the opto-electronic properties of disordered semiconductors. We present two powerful techniques to access $n(\mathbf r,T)$ without solving the Schr\"odinger equation. First, we derive the density for non-degenerate electrons by applying the Hamiltonian recursively to random wave functions (RWF). Second, we obtain a temperature-dependent effective potential from the application of a universal low-pass filter (ULF) to the random potential acting on the charge carriers in disordered media. Thereby, the full quantum-mechanical problem is reduced to the quasi-classical description of $n(\mathbf r,T)$ in an effective potential. We numerically verify both approaches by comparison with the exact quantum-mechanical solution. Both approaches prove superior to the widely used localization landscape theory (LLT) when we compare our approximate results for the charge carrier density and mobility at elevated temperatures obtained by RWF, ULF, and LLT with those from the exact solution of the Schr\"odinger equation.

The current burst in research activities on disordered semiconductors calls for the development of appropriate theoretical tools that reveal the features of electron states in random potentials while avoiding the time-consuming numerical solution of the Schr\"odinger equation. Among various approaches suggested so far, the low-pass filter approach of Halperin and Lax (HL) and the so-called localization landscape technique (LLT) have received most recognition in the community. We prove that the HL approach becomes equivalent to the LLT for the specific case of a Lorentzian filter when applied to the Schr\"odinger equation with a constant mass. Advantageously, the low-pass filter approach allows further optimization beyond the Lorentzian shape. We propose the global HL filter as optimal filter with only a single length scale, namely, the size of the localized wave packets. As an application, we design an optimized potential landscape for a (semi-)classical calculation of the number of strongly localized states that faithfully reproduce the exact solution for a random white-noise potential in one dimension.

Studying optoelectronic properties in FAPb$_{1-x}$Sn$_x$I$_3$ perovskites as a function of the lead:tin content, Parrott et al. observed the broadest luminescence linewidth and the largest luminescence Stokes shift in mixed compositions with Sn $ < 25$% and with $> 0.85$%. Since the largest effects of alloy disorder were expected for the 50:50 composition, it was concluded that the revealed disorder effects might arise from extrinsic factors that can be eliminated upon further crystal growth optimization. This comment shows that the largest effects of alloy disorder for perfectly random fluctuations in FAPb$_{1-x}$Sn$_x$I$_3$ perovskite are, in fact, expected for $x < 0.25$ and for $x > 0.85$. Therefore, further crystal growth optimization is futile., Comment: 2 pages, one figure

The charge transport mechanism in amorphous oxide semiconductors (AOS) is a matter of controversial debates. Most theoretical studies so far neglected the percolation nature of the phenomenon. In this article, a recipe for theoretical description of charge transport in AOSs is formulated using the percolation arguments. Comparison with the previous theoretical studies shows a superiority of the percolation approach. The results of the percolation theory are compared to experimental data obtained in various InGaZnO materials revealing parameters of the disorder potential in such AOS.

Charge transport in amorphous oxide semiconductors is often described as the band transport affected by disorder in the form of random potential barriers (RB). Theoretical studies in the framework of this approach neglected so far the percolation nature of the phenomenon. In this article, a recipe for theoretical description of charge transport in the RB model is formulated using percolation arguments. Comparison with the results published so far evidences the superiority of the percolation approach.

Using analytical arguments and computer simulations we show that the dependence of the hopping carrier mobility on the electric field $\mu(F)/\mu(0)$ in a system of random sites is determined by the localization length $a$, and not by the concentration of sites $N$. This result is in drastic contrast to what is usually assumed in the literature for a theoretical description of experimental data and for device modeling, where $N^{-1/3}$ is considered as the decisive length scale for $\mu(F)$. We show that although the limiting value $\mu(F \rightarrow 0)$ is determined by the ratio $N^{-1/3}/a$, the dependence $\mu(F)/\mu(0)$ is sensitive to the magnitude of $a$, and not to $N^{-1/3}$. Furthermore, our numerical and analytical results prove that the effective temperature responsible for the combined effect of the electric field $F$ and the real temperature $T$ on the hopping transport via spatially random sites can contain the electric field only in the combination $eFa$., Comment: 7 pages, 4 figures

An analytical solution in a closed form is obtained for the three-dimensional elastic strain distribution in an unlimited medium containing an inclusion with a coordinate-dependent lattice mismatch (an eigenstrain). Quantum dots consisting of a solid solution with a spatially varying composition are examples of such inclusions. It is assumed that both the inclusion and the surrounding medium (the matrix) are elastically isotropic and have the same Young modulus and Poisson ratio. The inclusion shape is supposed to be an arbitrary polyhedron, and the coordinate dependence of the lattice misfit, with respect to the matrix, is assumed to be a polynomial of any degree. It is shown that, both inside and outside the inclusion, the strain tensor is expressed as a sum of contributions of all faces, edges and vertices of the inclusion. Each of these contributions, as a function of the observation point's coordinates, is a product of some polynomial and a simple analytical function, which is the solid angle subtended by the face from the observation point (for a contribution of a face), or the potential of the uniformly charged edge (for a contribution of an edge), or the distance from the vertex to the observation point (for a contribution of a vertex). The method of constructing the relevant polynomial functions is suggested. We also found out that similar expressions describe an electrostatic or gravitational potential, as well as its first and second derivatives, of a polyhedral body with a charge/mass density that depends on coordinates polynomially., Comment: 27 pages, 12 figures

Ge/Si structures with vertically stacked quantum dots are simulated to implement the basic elements of a quantum computer for operation with electron spin states. Elastic-strain fields are simulated using the conjugate gradient method and an atomistic model based on the Keating potential. Calculations are performed in the cluster approximation using clusters containing about three million atoms belonging to 150 coordination spheres. The spatial distributions of the strain energy density and electron potential energy are calculated for different valleys forming the bottom of the silicon conduction band. It is shown that the development of multilayer structures with vertically stacked quantum dots makes it possible to fabricate deep potential wells for electrons with vertical tunnel coupling., Comment: 9 pages

We propose a method for implementation of an universal set of one- and two-quantum-bit gates for quantum computation in the system of two coupled electrons with constant non-diagonal exchange interaction. Suppression of the exchange interaction is offered to implement by all-the-time repetition of single spin rotations. Small g-factor difference of electrons allows to address qubits and to avoid strong magnetic field pulses. It is shown by means of numerical experiments that for implementation of one- and two-qubit operations it is sufficient to change the amplitude of the magnetic field within a few Gauss, introducing in a resonance one and then the other electron. To find the evolution of the two-qubit system, we use the algorithms of the optimal control theory., Comment: 10 pages, 9 figures

The quantum-mechanical rule for probabilities, in its most general form of positive-operator valued measure (POVM), is shown to be a consequence of the environment-assisted invariance (envariance) idea suggested by Zurek [Phys. Rev. Lett. 90, 120404 (2003)], being completed by Gleason's theorem. This provides also a method for derivation of the Born rule., Comment: 6 pages, 4 figures, little cosmetic changes compared to the previous version

It is commonly believed that the most general type of a quantum-mechanical measurement is one described by a positive-operator valued measure (POVM). In the present paper, this statement is proven for any measurements on quantum systems with a finite-dimensional state space. The proof of POVM nature of an arbitrary measurement is carried out using a purely operational approach, which is fully ignorant about what is inside a measurement apparatus. The suggested approach gives also an opportunity to derive the Born rule., Comment: 11 pages, 3 figures

Electron states in a inhomogeneous Ge/Si quantum dot array with groups of closely spaced quantum dots were studied by conventional continuous wave ($cw$) ESR and spin-echo methods. We find that the existence of quantum dot groups allows to increase the spin relaxation time in the system. Created structures allow us to change an effective localization radius of electrons by external magnetic field. With the localization radius close to the size of a quantum dot group, we obtain fourfold increasing spin relaxation time $T_1$, as compared to conventional homogeneous quantum dot arrays. This effect is attributed to averaging of local magnetic fields related to nuclear spins $^{29}$Si and stabilization of $S_z$-polarization during electron back-and-forth motion within a quantum dot group., Comment: 8 pages, 9 figures

The Born rule for probabilities of measurement results is deduced from the set of five assumptions. The assumptions state that: (a) the state vector fully determines the probabilities of all measurement results; (b) between measurements, any quantum system is governed by that part of standard quantum mechanics, which does not refer to measurements; (c) probabilities of measurement results obey the rules of the classical theory of probability; (d) no information transfer is possible without interaction; (e) if two spin-1/2 particles are in the entangled state (sqrt(1-\lambda)|up>|up> + sqrt(\lambda)|down>|down>), and one of spins is measured by the Stern-Gerlach apparatus, then the state of the other spin after this measurement will be either |up> or |down>, corresponding to the measurement result. No one of these assumptions can be omitted. The method of the derivation is based on Zurek's idea of environment-assisted invariance [PRL 90, 120404 (2003)], though taken in rather modified form. Entanglement plays a crucial role in our approach (like in Zurek's one), so the probabilities are first considered in the case when the measured quantum system is entangled with some environment. Probabilities in pure states appear then as a particular case. The method of the present paper can be applied to both ideal and non-ideal measuring devices, irrespective to their constructions and principles of operation., Comment: 13 pages, 4 figures

Let $D$ be a strongly connected digraphs on $n\ge 4$ vertices. A vertex $v$ of $D$ is noncritical, if the digraph $D-v$ is strongly connected. We prove, that if sum of the degrees of any two adjacent vertices of $D$ is at least $n+1$, then there exists a noncritical vertex in $D$, and if sum of the degrees of any two adjacent vertices of $D$ is at least $n+2$, then there exist two noncritical vertices in $D$. A series of examples confirm that these bounds are tight.

Let $G$ be a circle graph without clique on 4 vertices. We prove that the chromatic number of $G$ doesn't exceed 30.

Experiments on carrier recombination in two-dimensional organic structures are often interpreted in the frame of the Langevin model with taking into account only the drift of the charge carriers in their mutual electric field. While this approach is well justified for three-dimensional systems, it is in general not valid for two-dimensional structures, where the contribution of diffusion can play a dominant role. We study the two-dimensional Langevin recombination theoretically and find the critical concentration below which diffusion cannot be neglected. For typical experimental conditions, neglecting the diffusion leads to an underestimation of the recombination rate by several times., Comment: 3 pages, 1 figure

In the previous paper [Nenashev et al., arXiv:0912.3161] an analytical theory confirmed by numerical simulations has been developed for the field-dependent hopping diffusion coefficient D(F) in one-dimensional systems with Gaussian disorder. The main result of that paper is the linear, non-analytic field dependence of the diffusion coefficient at low electric fields. In the current paper, an analytical theory is developed for the field-dependent diffusion coefficient in three- and two-dimensional Gaussian disordered systems in the hopping transport regime. The theory predicts a smooth parabolic field dependence for the diffusion coefficient at low fields. The result is supported by Monte Carlo computer simulations. In spite of the smooth field dependences for the mobility and for the longitudinal diffusivity, the traditional Einstein form of the relation between these transport coefficients is shown to be violated even at very low electric fields., Comment: 12 pages, 7 figures

An exact analytical theory is developed for calculating the diffusion coefficient of charge carriers in strongly anisotropic disordered solids with one-dimensional hopping transport mode for any dependence of the hopping rates on space and energy. So far such a theory existed only for calculating the carrier mobility. The dependence of the diffusion coefficient on the electric field evidences a linear, non-analytic behavior at low fields for all considered models of disorder. The mobility, on the contrary, demonstrates a parabolic, analytic field dependence for a random-barrier model, being linear, non-analytic for a random energy model. For both models the Einstein relation between the diffusion coefficient and mobility is proven to be violated at any finite electric field. The question on whether these non-analytic field dependences of the transport coefficients and the concomitant violation of the Einstein's formula are due to the dimensionality of space or due to the considered models of disorder is resolved in the following paper [Nenashev et al., arXiv:0912.3169], where analytical calculations and computer simulations are carried out for two- and three-dimensional systems., Comment: 13 pages, 3 figures

Effects of strong electric fields on hopping conductivity are studied theoretically. Monte-Carlo computer simulations show that the analytical theory of Nguyen and Shklovskii [Solid State Commun. 38, 99 (1981)] provides an accurate description of hopping transport in the limit of very high electric fields and low concentrations of charge carriers as compared to the concentration of localization sites and also at the relative concentration of carriers equal to 0.5. At intermediate concentrations of carriers between 0.1 and 0.5 computer simulations evidence essential deviations from the results of the existing analytical theories. The theory of Nguyen and Shklovskii also predicts a negative differential hopping conductivity at high electric fields. Our numerical calculations confirm this prediction qualitatively. However the field dependence of the drift velocity of charge carriers obtained numerically differs essentially from the one predicted so far. Analytical theory is further developed so that its agreement with numerical results is essentially improved., Comment: 12 pages, 12 figures. References added, figures improved

An analytical expression of the strain distribution due to lattice mismatch is obtained in an infinite isotropic elastic medium (a matrix) with a three-dimensional polyhedron-shaped inclusion (a quantum dot). The expression was obtained utilizing the analogy between electrostatic and elastic theory problems. The main idea lies in similarity of behavior of point charge electric field and the strain field induced by point inclusion in the matrix. This opens a way to simplify the structure of the expression for the strain tensor. In the solution, the strain distribution consists of contributions related to faces and edges of the inclusion. A contribution of each face is proportional to the solid angle at which the face is seen from the point where the strain is calculated. A contribution of an edge is proportional to the electrostatic potential which would be induced by this edge if it is charged with a constant linear charge density. The solution is valid for the case of inclusion having the same elastic constants as the matrix. Our method can be applied also to the case of semi-infinite matrix with a free surface. Three particular cases of the general solution are considered--for inclusions of pyramidal, truncated pyramidal, and "hut-cluster" shape. In these cases considerable simplification was achieved in comparison with previously published solutions. A generalization of the obtained solution to the case of anisotropic media is discussed., Comment: revtex4, 12 pages, 6 figures; Ch. II rewritten, new Ch. V added, errors in Eq.(13) and Eq.(22) fixed