Ab‐initio simulations of materials using VASP: Density‐functional theory and beyond

J Hafner - Journal of computational chemistry, 2008 - Wiley Online Library
During the past decade, computer simulations based on a quantum‐mechanical description
of the interactions between electrons and between electrons and atomic nuclei have …

Impulsive excitation of coherent magnons and phonons by subpicosecond laser pulses in the weak ferromagnet

AM Kalashnikova, AV Kimel, RV Pisarev… - Physical Review B …, 2008 - APS
Coherent magnons and phonons are excited by subpicosecond laser pulses in the weak
ferromagnet FeBO 3. Impulsive stimulated Raman scattering (ISRS) is proven to be the …

Strain-induced magnetic pattern formation in antiferromagnetic iron borate

T Janssen, M Gidding, CS Davies, AV Kimel, A Kirilyuk - Physical Review B, 2023 - APS
Using the crystalline lattice to manipulate magnetic ordering represents an intriguing
direction of future research, particularly when attempting to modify the rather robust …

Effect of magnetoelastic interaction on the thermal expansion of the trigonal crystal FeBO3

K Seleznyova, E Smirnova, M Strugatsky… - Journal of Magnetism …, 2022 - Elsevier
Iron borate FeBO 3–a trigonal antiferromagnet with weak ferromagnetism–was used as a
model object for experimental and theoretical studies of thermal expansion. X-ray diffraction …

Fe x Ga1−x BO3 single crystals: synthesis and characterization

S Yagupov, M Strugatsky, K Seleznyova… - Applied Physics A, 2015 - Springer
A series of Fe x Ga 1− x BO 3 single crystals in the concentration range 0≤ x≤ 1 has been
synthesized by solution in the melt method. In order to determine optimal crystallization …

Effects of ferromagnetism in ab initio calculations of basic structural parameters of Fe-A (A= Mo, Nb, Ta, V, or W) random binary alloys

S Xu, AS Kulathuvayal, L **ong, Y Su - The European Physical Journal B, 2022 - Springer
Density functional theory (DFT) calculations are performed to study the effects of
ferromagnetism on basic structural parameters including lattice parameters and elastic …

Thermoremanent magnetization and Raman study in weak ferromagnet FeBO3

N Pattanayak, M Pradhan, P Panda, B Giri… - Journal of Magnetism …, 2023 - Elsevier
In the past decade, there has been a lot of interest in exploring the magnetization dynamics
in spin canted antiferromagnet for their possible useful role in the areas of antiferromagnetic …

Seismic detectability of carbonates in the deep Earth: A nuclear inelastic scattering study

S Chariton, C McCammon, DM Vasiukov… - American …, 2020 - degruyter.com
Carbonates play an important role in the transport and storage of carbon in the Earth's
mantle. However, the abundance of carbon and carbonates in subduction zones is still an …

Phonons in ultrathin oxide films: 2D to 3D transition in FeO on Pt (111)

N Spiridis, M Zając, P Piekarz, AI Chumakov… - Physical Review Letters, 2015 - APS
The structural and magnetic properties of ultrathin FeO (111) films on Pt (111) with
thicknesses from 1 to 16 monolayers (MLs) were studied using the nuclear inelastic …

Magnetic structure of mixed iron-gallium borate crystals: EMR and SQUID studies

K Seleznyova, M Strugatsky, S Yagupov… - Journal of Alloys and …, 2024 - Elsevier
Iron-gallium borate, Fe x Ga 1− x BO 3, single crystals have been synthesized by the
solution in the melt technique. The exact x-values in the crystals have been determined by X …