Related papers: Multipole expansion for magnetic structures: A gen…
An efficient procedure of orthonormalisation of the Bargmann-Moshinsky (BM) basis is examined using analytical formulas of the overlap integrals of the BM basis. Calculations of components of the quadrupole operator between the both BM and…
Magnetic multipole moments beyond dipoles have emerged as key descriptors of unconventional electromagnetic responses in crystalline solids. However, a gauge-invariant bulk expression for orbital magnetic multipole moments has remained…
Recent series of articles (B.M. Tanygin, 2011-2012) has been aimed to study flexomagnetoelectric properties of magnetically ordered crystals by means of a magnetic point symmetry description. Besides its fundamental interest (complete…
The phenomenological theory of the flexomagnetoelectric coupling in crystals of the cubic, tetragonal and orthorhombic crystal systems has been suggested. Secondary role of the crystal structure chirality was shown. Oppositely, significant…
The discovery of unconventional antiferromagnets, such as altermagnets, has drawn significant attention to higher-rank magnetic multipoles, particularly magnetic octupoles. Despite the advances in research, attempts to understand their…
Antiferromagnets with vanishing net magnetization are naturally expected to host higher-order magnetic multipole moments. Understanding and utilizing the multipole degrees of freedom are imperative for novel conceptual designs and…
We propose an efficient algorithm for the evaluation of the potential and its gradient of gravitational/electrostatic $N$-body systems, which we call particle mesh multipole method (PMMM or PM$^3$). PMMM can be understood both as an…
Interaction between dipolar forces, such as permanent magnets, generally leads to the formation of one-dimensional chains and rings. We investigated whether it was possible to let dipoles self-assemble into three-dimensional structures by…
Increasing attention is being focussed on the use of symmetry-adapted functions to describe magnetic structures, structural distortions, and incommensurate crystallography. Though the calculation of such functions is well developed,…
We construct a new volume preserving map from the unit ball $\mathbb B^3$ to the regular 3D octahedron, both centered at the origin, and its inverse. This map will help us to construct refinable grids of the 3D ball, consisting in diameter…
We present a new phase field crystal model for structural transformations in multi-component alloys. The formalism builds upon the two-point correlation kernel developed in Greenwood et al. for describing structural transformations in pure…
The series expansion formulae are established for the one- and two-center charge densities over complete orthonormal sets of exponential type orbitals introduced by the author. Three-center overlap integrals of appearing in these relations…
Cerium electronic multipoles in trigonal symmetry viewed in magnetic neutron diffraction are investigated. Analytic expressions for all the magnetic multipoles, and radial integrals calculated with an established atomic code, are used to…
We provide the details of the theory of magnetic symmetry in quasicrystals, which has previously only been outlined. We develop a practical formalism for the enumeration of spin point groups and spin space groups, and for the calculation of…
Evolutionary crystal structure prediction proved to be a powerful approach for studying a wide range of materials. Here, we present a specifically designed algorithm for the prediction of the structure of complex crystals consisting of…
Magnetic spin topological textures recently found their electrical counterparts in polar topologies emerging from the condensation of inhomogeneous polar atomic distortions. Here, we further extend the concept to other non-polar atomic…
Crystalline alloys and related mixed systems make up a large family of materials with high tunability which have been proposed as the solution to a large number of energy related materials design problems. Due to the presence of chemical…
We describe a framework to assemble permanent-magnet cubes in 3D-printed frames to construct dipole, quadrupole, and solenoid magnets, whose field, in the absence of iron, can be calculated analytically in three spatial dimensions. Rotating…
Parametrized crystal-field analyses are presented for both the six and seven fold coordinated, C$_{1}$ symmetry Sm$^{3+}$ centers in Y$_{2}$SiO$_{5}$, based on extensive spectroscopic data spanning the infrared to optical regions. Laser…
Based on the self-energy-functional approach proposed recently [M. Potthoff, Eur. Phys. J. B 32, 429 (2003)], we present an extension of the cluster-perturbation theory to systems with spontaneously broken symmetry. Our method applies to…