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 …
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
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 …
ferromagnet FeBO 3. Impulsive stimulated Raman scattering (ISRS) is proven to be the …
Strain-induced magnetic pattern formation in antiferromagnetic iron borate
Using the crystalline lattice to manipulate magnetic ordering represents an intriguing
direction of future research, particularly when attempting to modify the rather robust …
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 …
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 …
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
Density functional theory (DFT) calculations are performed to study the effects of
ferromagnetism on basic structural parameters including lattice parameters and elastic …
ferromagnetism on basic structural parameters including lattice parameters and elastic …
Thermoremanent magnetization and Raman study in weak ferromagnet FeBO3
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 …
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
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 …
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 …
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 …
solution in the melt technique. The exact x-values in the crystals have been determined by X …