Simulations of magnetic Bragg scattering in transmission electron microscopy

التفاصيل البيبلوغرافية
العنوان: Simulations of magnetic Bragg scattering in transmission electron microscopy
المؤلفون: Snarski-Adamski, Justyn, Edström, Alexander, Zeiger, Paul, Castellanos-Reyes, José Ángel, Lyon, Keenan, Werwiński, Mirosław, Rusz, Ján
سنة النشر: 2022
المجموعة: Condensed Matter
مصطلحات موضوعية: Condensed Matter - Materials Science
الوصف: We have simulated the magnetic Bragg scattering in transmission electron microscopy in two antiferromagnetic compounds, NiO and LaMnAsO. This weak magnetic phenomenon was experimentally observed in NiO by Loudon. We have computationally reproduced Loudon's experimental data, and for comparison we have performed calculations for the LaMnAsO compound as a more challenging case, containing lower concentration of magnetic elements and strongly scattering heavier non-magnetic elements. We have also described thickness and voltage dependence of the intensity of the antiferromagnetic Bragg spot for both compounds. We have considered lattice vibrations within two computational approaches, one assuming a static lattice with Debye-Waller smeared potentials, and another explicitly considering the atomic vibrations within the quantum excitations of phonons model (thermal diffuse scattering). The structural analysis shows that the antiferromagnetic Bragg spot appears in between (111) and (000) reflections for NiO, while for LaMnAsO the antiferromagnetic Bragg spot appears at the position of the (010) reflection in the diffraction pattern, which corresponds to a forbidden reflection of the crystal structure. Calculations predict that the intensity of the magnetic Bragg spot in NiO is significantly stronger than thermal diffuse scattering at room temperature. For LaMnAsO, the magnetic Bragg spot is weaker than the room-temperature thermal diffuse scattering, but its detection can be facilitated at reduced temperatures.
نوع الوثيقة: Working Paper
DOI: 10.1016/j.ultramic.2023.113698
URL الوصول: http://arxiv.org/abs/2210.04679
رقم الأكسشن: edsarx.2210.04679
قاعدة البيانات: arXiv
الوصف
DOI:10.1016/j.ultramic.2023.113698