arXiv subjects

Jesus Etxebarria

Publications and source records attributed to Jesus Etxebarria.

4 recordsLinked to original sources

arXiv2026

Spin point group symmetry and classification of non-relativistic spin splitting in non-collinear magnetic structures: Identification of high-order spin splitting types (l=5,7, and 9)

A comprehensive study of the possible types of non-relativistic spin splitting of electronic bands in coplanar and non-coplanar magnetic structures is presented on the basis of spin-group theory. First, we tabulate all non-equivalent spin point groups (SpPGs) which can be expressed as a direct product of a nontrivial part and a spin-only group limited to be the intrinsic (trivial) one, or augmented by the time-reversal (TR) operation. This tabulation, which includes the listing of symmetry operations for 1249 nonequivalent SpPGs, is now available as an online database SPGENPOS in the Bilbao Crystallographic Server (BCS). This extends previous enumerations, in which the possible presence of TR in the magnetic point group was not taken into account, thus overlooking the full SpPG symmetry associated with the numerous magnetic structures which have a magnetic space group of type IV. For each of the listed coplanar and non-coplanar SpPGs, the spin-splitting that is symmetry allowed is analyzed in detail using the program STENSOR also in the BCS. Except for the SpPGs that include the operation 1', i.e., the combined operation of TR and space inversion, all other coplanar and non-coplanar SpPGs allow spin splitting at some order in a power expansion of the electron wave vector components. We find that, depending on the SpPG, spin-splitting terms can appear with the lowest-order monomials ranging from l=0 to 9, with the exception of l=8. This contrasts with the collinear case, where the lowest order is not higher than l=6, and where TR forbids any spin splitting. For the newly identified spin textures with powers l=5, 7, and 9, which are possible in some noncentrosymmetric SpPGs, the functional form of the spin splitting in terms of the components of the crystal momentum is given. One example of a real material, LaMnAu5, showing l=5 spin splitting is identified.

cond-mat.mtrl-sci↗

arXiv2026

Automatic calculation of symmetry-adapted tensors under spin-group symmetry. STENSOR, a new tool of the Bilbao Crystallographic Server

We present STENSOR, a new computational tool integrated into the Bilbao Crystallographic Server, designed for the automatic calculation of symmetry-adapted tensors under spin group symmetry. The program requires either a file containing the structural data of the magnetic compound or the generators of the oriented spin point group, together with the so-called generalized Jahn symbol associated to the tensor of interest. The user can propose any arbitrary tensor type or select a particular one from a predefined list. The program output returns the symmetry-adapted tensor under the spin point group and also under the magnetic point group, which is also calculated. The comparison of these two tensor forms allows to distinguish the coefficients that are due to spin-orbit coupling effects from those that have a non-relativistic origin and thus are usually more important. A couple of examples are given to illustrate the operation of the program.

cond-mat.mtrl-sci↗

arXiv2025

Crystal tensor properties of magnetic materials with and without spin-orbit coupling. Application of spin point groups as approximate symmetries

Spin space groups, formed by operations where the rotation of the spins is independent of the accompanying operation acting on the crystal structure, are appropriate groups to describe the symmetry of magnetic structures with null spin-orbit coupling. Their corresponding spin point groups are the symmetry groups to be considered for deriving the symmetry constraints on the form of the crystal tensor properties of such idealized structures. These groups can also be taken as approximate symmetries (with some restrictions) of real magnetic structures, where spin-orbit and magnetic anisotropy are however present. Here we formalize the invariance transformation properties that must satisfy the most important crystal tensors under a spin point group. This is done using modified Jahn symbols, which generalize those applicable to ordinary magnetic point groups [Gallego et al., Acta Cryst. (2019) A75, 438-447]. The analysis includes not only equilibrium tensors, but also transport, optical and non-linear optical susceptibility tensors. The constraints imposed by spin collinearity and coplanarity within the spin group formalism on a series of representative tensors are discussed and compiled. As illustrative examples, the defined tensor invariance equations have been applied to some known magnetic structures, showing the differences of the symmetry-adapted form of some relevant tensors, when considered under the constraints of its spin point group or its magnetic point group. This comparison, with the spin point group implying additional constraints in the tensor form, can allow one to distinguish those magnetic-related properties that can be solely attributed to spin-orbit coupling from those that are expected even when spin-orbit coupling is negligible.

cond-mat.mtrl-sci↗

arXiv2024

Acceptable solutions of the Schrodinger radial equation for a particle in a two-dimensional central potential

The stationary states of a particle in a central potential are usually taken as a product of an angular part Phi and a radial part R. The function R satisfies the so-called radial equation and is usually solved by demanding R to be finite at the origin. In this work we examine the reason for this requirement in the case of a two-dimensional (2D) central force problem. In contrast to some claims commonly accepted, the reason for discarding solutions with divergent R(0) is not the need to have a normalizable wave function. In fact some wave functions can be normalized even if R is singular at the origin. Instead, here we show that if R is singular, the complete wave function psi = Phi R fails to satisfy the full Schrodinger equation, but follows a equation similar to Schrodinger's but with an additional term containing the 2D Dirac delta function or its derivatives. Thus, psi is not a true eigenfunction of the Hamiltonian. In contrast, there are no additional terms in the equation for wave functions psi built from solutions R that remain finite at the origin. A similar situation also occurs for 3D central potentials as has been shown recently. A comparison between the 2D and 3D cases is carried out.

quant-ph↗