Zobrazeno 1 - 10
of 455
pro vyhledávání: '"Legut, D"'
We present VelCrys, a web-based interactive tool, that allows to perform further post-processing of the elastic tensor in order to compute and plot the group velocity of the acoustic waves for any crystal symmetry. We also implemented the calculation
Externí odkaz:
http://arxiv.org/abs/2405.14416
Autor:
Stekiel, M., Čermák, P., Franz, C., Meven, M., Legut, D., Simeth, W., Hansen, U. B., Fåk, B., Weber, S., Schönmann, R., Kumar, V., Nemkovski, K., Deng, H., Bauer, A., Pfleiderer, C., Schneidewind, A.
Publikováno v:
Phys. Rev. Research 6, 023117, (2024)
We investigate the effect of structural deformation on the magnetic properties of orthorhombic CePdAl$_3$ in relation to its tetragonal polymorph. Utilizing x-ray and neutron diffraction we establish that the crystal structure has the $Cmcm$ space gr
Externí odkaz:
http://arxiv.org/abs/2405.04318
Publikováno v:
Computational Materials Science 224 (2023) 112158
We present a methodology based on deformations of the unit cell that allows to compute the isotropic magnetoelastic constants, isotropic magnetostrictive coefficients and spontaneous volume magnetostriction associated to the exchange magnetostriction
Externí odkaz:
http://arxiv.org/abs/2210.00791
We present a simple methodology to compute the spontaneous volume magnetostriction with first-principles calculations on the basis of the magnetoelastic energy. This method makes use of deformations of the unit cell only at the ferromagnetic state. H
Externí odkaz:
http://arxiv.org/abs/2207.02569
Publikováno v:
In Computational Materials Science September 2024 244
Publikováno v:
Phys. Rev. B 105 (2022) 134430
In this work, we leverage atomistic spin-lattice simulations to examine how magnetic interactions impact the propagation of sound waves through a ferromagnetic material. To achieve this, we characterize the sound wave velocity in BCC iron, a prototyp
Externí odkaz:
http://arxiv.org/abs/2201.10368
Autor:
Thielemann-Kühn, N., Amrhein, T., Bronsch, W., Jana, S., Pontius, N., Engel, R. Y., Miedema, P. S., Legut, D., Carva, K., Atxitia, U., van Kuiken, B. E., Teichmann, M., Carley, R. E., Mercadier, L., Yaroslavtsev, A., Mercurio, G., Guyader, L. Le, Agarwal, N., Gort, R., Scherz, A., Dziarzhytski, S., Brenner, G., Pressacco, F., Wang, R., Schunck, J. O., Sinha, M., Beye, M., Chiuzbăian, G. S., Oppeneer, P. M., Weinelt, M., Schüßler-Langeheine, C.
A change of orbital state alters the coupling between ions and their surroundings drastically. Orbital excitations are hence key to understand and control interaction of ions. Rare-earth (RE) elements with strong magneto-crystalline anisotropy (MCA)
Externí odkaz:
http://arxiv.org/abs/2106.09999
Publikováno v:
Computer Physics Communications 271 (2022) 108197
MAELAS is a computer program for the calculation of magnetocrystalline anisotropy energy, anisotropic magnetostrictive coefficients and magnetoelastic constants in an automated way. The method originally implemented in version 1.0 of MAELAS was based
Externí odkaz:
http://arxiv.org/abs/2106.03624
Autor:
Nieves, P., Legut, D.
Publikováno v:
Solid State Communications 352 (2022) 114825
In this work we computationally study the effect of microstructure on saturation magnetostriction of Terfenol-D (Tb$_{0.27}$Dy$_{0.73}$Fe$_{2}$) by means of Finite Element Method. The model is based on the equilibrium magnetoelastic strain tensor at
Externí odkaz:
http://arxiv.org/abs/2105.04315
Autor:
Kurleto, R., Fidrysiak, M., Nicolaï, L., Minár, J., Rosmus, M., Walczak, Ł., Tejeda, A., Rault, J. E., Bertran, F., Kądzielawa, A. P., Legut, D., Gnida, D., Kaczorowski, D., Kissner, K., Reinert, F., Spałek, J., Starowicz, P.
Publikováno v:
Phys. Rev. B 104, 125104 (2021)
Hybridization between $f$ electrons and conduction bands ($c$-$f$ hybridization) is a driving force for many unusual phenomena. To provide insight into it, systematic studies of CeCoIn$_5$ heavy fermion superconductor have been performed by angle-res
Externí odkaz:
http://arxiv.org/abs/2101.05761