Atom species energy dependence on magnetic configurations in the perovskite yttrium orthoferrite

Doklady BGUIR ◽  
2022 ◽  
Vol 19 (8) ◽  
pp. 63-67
Author(s):  
A. V. Baglov ◽  
L S. Khoroshko
Keyword(s):  
Magnetic Properties ◽  
Energy Dependence ◽  
Ground State ◽  
Magnetic Ordering ◽  
Lattice Parameters ◽  
Main Role ◽  
Ab Initio Methods ◽  
Magnetic Sublattice ◽  
Yttrium Orthoferrite ◽  
Moriya Interaction

The article represents the results of studying of the influence of atom species in the perovskite multiferroic yttrium orthoferrite YFeO3 on magnetic configurations by ab-initio methods. Four magnetic configurations possible in magnetic sublattice that were formed by iron atoms were analyzed. It is shown that different magnetic orderings change the lattice parameters and the ions occupied positions while preserving symmetry of the unit cell, the lowest state responds G-AFM type magnetic ordering. The lattice parameters are in good relevant published experimental data. The atom species energy dependence shows that the main role in magnetic properties goes to iron and oxygen. In the ground state, magnetic properties relate with Dzyaloshinskii – Moriya interaction, while in other configurations, these relate with superexchange through Fe- O-Fe chains. Obtained results are useful for analyzing and designing straintronics devices. Also, the results can be interesting for interpretation and predicting magnetic properties of partially or fully substituted orthoferrites including substitution on rare-earth elements.

scholarly journals Исследование структуры и магнитных свойств сплавов Fe-=SUB=-8-=/SUB=-Rh-=SUB=-8-x-=/SUB=-Z-=SUB=-x-=/SUB=- (Z=Mn, Pt, Co; x=1, 2 и 3) первопринципными методами

2018 ◽  
Vol 60 (6) ◽  
pp. 1122
Author(s):  
О.О. Павлухина ◽  
В.В. Соколовский ◽  
В.Д. Бучельников ◽  
М.А. Загребин
Keyword(s):  
Magnetic Properties ◽  
First Principles ◽  
Magnetic Moments ◽  
Magnetic Ordering ◽  
Lattice Parameter ◽  
Lattice Parameters ◽  
The Third ◽  
Equilibrium Lattice Parameter

AbstractThe results of first-principles studies of the structure and magnetic properties of Fe–Rh–Z alloys conducted using the VASP package are reported. The magnetic moments and lattice parameters are determined, and the possibility of existence of stable tetragonal distortions in Fe–Rh–Z alloys with various magnetic configurations set by the level of doping with Mn, Pt, and Co is examined. It is demonstrated that the equilibrium lattice parameter and the type of magnetic ordering change with the concentration of the third element.

scholarly journals Revealing noncollinear magnetic ordering at the atomic scale via XMCD

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Fridtjof Kielgast ◽  
Ivan Baev ◽  
Torben Beeck ◽  
Federico Pressacco ◽  
Michael Martins
Keyword(s):  
Ground State ◽  
Magnetic Circular Dichroism ◽  
Magnetic Moments ◽  
Magnetic Ordering ◽  
Atomic Scale ◽  
Angle Of Incidence ◽  
X Ray ◽  
First Time ◽  
X Ray Absorption ◽  
Magnetic Sublattices

AbstractMass-selected V and Fe monomers, as well as the heterodimer $${\text{Fe}}_1{\text{V}}_1$$ Fe 1 V 1 , were deposited on a Cu(001) surface. Their electronic and magnetic properties were investigated via X-ray absorption (XAS) and X-ray magnetic circular dichroism (XMCD) spectroscopy. Anisotropies in the magnetic moments of the deposited species could be examined by means of angle resolving XMCD, i.e. changing the X-ray angle of incidence. A weak adatom-substrate-coupling was found for both elements and, using group theoretical arguments, the ground state symmetries of the adatoms were determined. For the dimer, a switching from antiparallel to parallel orientation of the respective magnetic moments was observed. We show that this is due to the existence of a noncollinear spin-flop phase in the deposited dimers, which could be observed for the first time in such a small system. Making use of the two magnetic sublattices model, we were able to find the relative orientations for the dimer magnetic moments for different incidence angles.

WANG–LANDAU SIMULATION ON THERMODYNAMIC AND MAGNETIC PROPERTIES OF HONEYCOMB LATTICE

2011 ◽  
Vol 25 (26) ◽  
pp. 3435-3442
Author(s):  
XIAOYAN YAO
Keyword(s):  
Magnetic Field ◽  
Monte Carlo Simulation ◽  
Magnetic Properties ◽  
Free Energy ◽  
Magnetic Susceptibility ◽  
Magnetic Property ◽  
Ground State ◽  
Antiferromagnetic Order ◽  
Honeycomb Lattice ◽  
Antiferromagnetic Ising Model

Wang–Landau algorithm of Monte Carlo simulation is performed to understand the thermodynamic and magnetic properties of antiferromagnetic Ising model on honeycomb lattice. The internal energy, specific heat, free energy and entropy are calculated to present the thermodynamic behavior. For magnetic property, the magnetization and magnetic susceptibility are discussed at different temperature upon different magnetic field. The antiferromagnetic order is confirmed to be the ground state of the system, and it can be destroyed by a large magnetic field.

Effect of the lifetime of the intermediate 5Li state in the 6Li(3He, αp)4He reaction

1968 ◽  
Vol 46 (20) ◽  
pp. 2241-2251 ◽  
Author(s):  
M. A. Reimann ◽  
P. W. Martin ◽  
E. W. Vogt
Keyword(s):  
Dimensional Analysis ◽  
Energy Dependence ◽  
Ground State ◽  
Intermediate State ◽  
Two Dimensional ◽  
Short Life ◽  
Semiclassical Model ◽  
Analysis Technique ◽  
The Asymmetry

A cylindrical asymmetry about the direction of motion of 5Li has been seen in the breakup of the ground state of this nucleus observed as an intermediate state in the reaction 6Li(3He, pα)4He. Measurements were made at bombarding energies of 1.00, 1.25, and 1.50 MeV with isotopically enriched LiF targets using a two-dimensional analysis technique. We explain both the rough magnitude of the asymmetry and its qualitative energy dependence in terms of a simple semiclassical model. In this model the origin of the asymmetry is associated with the short life of the 5Li intermediate state and with the memory retained by the proton during this short life of its "localization" at the time of formation of 5Li.

scholarly journals The Peter Day Series of Magnetic (Super)Conductors

2021 ◽  
Vol 7 (7) ◽  
pp. 93
Author(s):  
Samia Benmansour ◽  
Carlos J. Gómez-García
Keyword(s):  
Magnetic Properties ◽  
Electrical Properties ◽  
Metal Complexes ◽  
Long Range ◽  
Magnetic Ordering ◽  
Metallic Conductivity ◽  
Electrical And Magnetic Properties ◽  
Super Conducting ◽  
Paramagnetic Metals

Here, we review the different series of (super)conducting and magnetic radical salts prepared with organic donors of the tetrathiafulvalene (TTF) family and oxalato-based metal complexes (ox = oxalate = C2O42−). Although most of these radical salts have been prepared with the donor bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF = ET), we also include all the salts prepared with other TTF-type donors such as tetrathiafulvalene (TTF), tetramethyl-tetrathiafulvalene (TM-TTF), bis(ethylenediseleno)tetrathiafulvalene (BEST), bis(ethylenedithio)tetraselenafulvalene (BETS) and 4,5bis((2S)-2-hydroxypropylthio)-4’,5’-(ethylenedithio)tetrathiafulvalene (DMPET). Most of the oxalate-based complexes are monomers of the type [MIII(C2O4)3]3−, [Ge(C2O4)3]2− or [Cu(C2O4)2]2−, but we also include the reported salts with [Fe2(C2O4)5]4− dimers, [MII(H2O)2[MIII(C2O4)3]2]4− trimers and homo- or heterometallic extended 2D layers such as [MIIMIII(C2O4)3]− and [MII2(C2O4)3]2−. We will present the different structural families and their magnetic properties (such as diamagnetism, paramagnetism, antiferromagnetism, ferromagnetism and even long-range magnetic ordering) that coexist with interesting electrical properties (such as semiconductivity, metallic conductivity and even superconductivity). We will focus on the electrical and magnetic properties of the so-called Day series formulated as β”-(BEDT-TTF)4[A+MIII(C2O4)3]·G, which represents the largest family of paramagnetic metals and superconductors reported to date, with more than fifty reported examples.

Phase diagrams and ground-state magnetic properties of Pr-based filled skutterudites

2005 ◽  
Vol 359-361 ◽  
pp. 836-843 ◽  
Author(s):  
Toshiro Sakakibara ◽  
Takashi Tayama ◽  
Jeroen Custers ◽  
Hidekazu Sato ◽  
Takahiro Onimaru ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Phase Diagrams ◽  
Ground State ◽  
Filled Skutterudites

STABLE STRUCTURES, ELECTRIC AND MAGNETIC PROPERTIES OF NANOPARTICLES COn(n = 1-6) CLUSTERS: FIRST-PRINCIPLES CALCULATIONS

2013 ◽  
Vol 27 (15) ◽  
pp. 1362007
Author(s):  
JUN LIU ◽  
SHENG-BIAO TAN ◽  
HUI-NING DONG
Keyword(s):  
Magnetic Properties ◽  
Ground State ◽  
First Principles ◽  
Lower Energy ◽  
Magnetic Moments ◽  
Molecular Orbitals ◽  
First Principles Calculations ◽  
Half Metallicity ◽  
Ground State Structures ◽  
Stable Structures

The ground state geometric structures of the nanoparticles or clusters CO n(n = 1-6) were given based on the first-principles calculations. Then the magnetic properties of the clusters CO n(n = 1-6) and ( CO n)-2(n = 1-6) were calculated in system. Results show that their ground state structures are closely related to the numbers of O-ions. These clusters have no magnetic moments and half-metallicity if they are electroneutral. However, they have magnetic moments if they have positive or negative charges. The total magnetic moments of the clusters ( CO n)-2(n = 1-6, but n≠3) are all 2.0000 μB, and all their ions have contributions to the total magnetic moments. The main reason is that the molecular orbitals with lower energy filled with paired electrons and the molecular orbitals with higher energy are occupied by two electrons in parallel.

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