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Direct visualization of electronic-structure symmetry within each crystalline unit cell is a new technique for complex electronic matter research. By studying the Bragg peaks in Fourier transforms of electronic structure images, and…
Utilizing discrete phase distribution to fit continuous phase distribution has been a primary routine for designing metasurfaces. In the existing method, the validation of the discrete designs is guaranteed only by using the sub-wavelength…
We consider an isolated point defect embedded in a homogeneous crystalline solid. We show that, in the harmonic approximation, a periodic supercell approximation of the formation free energy as well as of the transition rate between two…
Many media are divided into elementary units with irregular shape and size, as exemplified by domains in magnetic materials, bubbles in foams, or cells in biological tissues. Such media are essentially characterized by geometrical disorder…
The geometry of the $q$-deformed line is studied. A real differential calculus is introduced and the associated algebra of forms represented on a Hilbert space. It is found that there is a natural metric with an associated linear connection…
We conduct a systematic investigation of the role of Hubbard U corrections in electronic structure calculations of two-dimensional (2D) materials containing 3d transition metals. Specifically, we use density functional theory (DFT) with the…
A complicating factor in unraveling the theory of high-temperature (high-Tc) superconductivity is the presence of a "pseudogap" in the density of states, whose origin has been debated since its discovery [1]. Some believe the pseudogap is a…
We show how arbitrary unit cells of periodic materials can be represented as graphs whose nodes represent atoms and whose weighted edges represent tunneling connections between atoms. Further, we present methods to calculate the band…
Continuum models of plasticity fail to capture the richness of microstructural evolution because the continuum is a homogeneous construction. The present study shows that an alternative way is available at the mesoscale in the form of truly…
The paper presents a micromechanical representation of deformation in 2D granular materials. The representation is a generalization of K. Bagi's work and is based upon the void-cell approach of M. Satake. The general representation applies…
Accurate structural analysis is essential to gain physical knowledge and understanding of atomic-scale processes in materials from atomistic simulations. However, traditional analysis methods often reach their limits when applied to…
The identity of the fundamental broken symmetry (if any) in the underdoped cuprates is unresolved. However, evidence has been accumulating that this state may be an unconventional density wave. Here we carry out site-specific measurements…
We present a quantum-classical hybrid algorithm that simulates electronic structures of periodic systems such as ground states and quasiparticle band structures. By extending the unitary coupled cluster (UCC) theory to describe crystals in…
In superconducting quantum circuits, decoherence improvements are frequently obtained through process interventions that simultaneously modify surface chemistry, microstructural topology, and device geometry, leaving mechanistic attribution…
We use high-precision spectroscopy and detailed theoretical modelling to determine the form of the coupling between a superconducting phase qubit and a two-level defect. Fitting the experimental data with our theoretical model allows us to…
Computer simulation models are widely used to study complex physical systems. A related fundamental topic is the inverse problem, also called calibration, which aims at learning about the values of parameters in the model based on…
Finding an optimal match between two different crystal structures underpins many important materials science problems, including describing solid-solid phase transitions, developing models for interface and grain boundary structures. In…
Real-time deformability cytometry (RT-DC) is an established method that quantifies features like size, shape, and stiffness for whole cell populations on a single-cell level in real time. To extract the cell stiffness, a lookup table (LUT)…
The computational cost of micromechanics for heterogeneous materials can be reduced in certain cases where symmetric boundary conditions are applicable. We derived an eighth symmetric formulation of the Generalized Method of Cells for…
This paper was motivated by the articles "Same or different - that is the question" in CrystEngComm (July 2020) and "Change to the definition of a crystal" in the IUCr newsletter (June 2021). Experimental approaches to crystal comparisons…