The problems of the unambiguity of the numerical parametrization of the ESR spin hamiltonian

1983 ◽  
Vol 33 (1) ◽  
pp. 87-91 ◽  
Author(s):  
J. Uhrin ◽  
M. Rákoš
Keyword(s):  
Spin Hamiltonian ◽  
Numerical Parametrization

In the Quest for a Stable Triplet State in Small Polyaromatic Hydrocarbons : An In-Silico Tool for Rational Design and Prediction

2019 ◽  
Author(s):  
Madhumita Rano ◽  
Sumanta K Ghosh ◽  
Debashree Ghosh
Keyword(s):  
Triplet State ◽  
Small Molecules ◽  
In Silico ◽  
Qualitative Agreement ◽  
Rational Design ◽  
Polyaromatic Hydrocarbons ◽  
Spin Hamiltonian ◽  
Spin Frustration ◽  
Computationally Efficient ◽  
High Level

<div>Combining the roles of spin frustration and geometry of odd and even numbered rings in polyaromatic hydrocarbons (PAHs), we design small molecules that show exceedingly small singlet-triplet gaps and stable triplet ground states. Furthermore, a computationally efficient protocol with a model spin Hamiltonian is shown to be capable of qualitative agreement with respect to high level multireference calculations and therefore, can be used for fast molecular discovery and screening.</div>

Ambiguity problems of the spin hamiltonian

1976 ◽  
Vol 22 (2) ◽  
pp. 243-263 ◽  
Author(s):  
A Rockenbauer ◽  
P Simon
Keyword(s):  
Spin Hamiltonian

Non-collinear magnetism & multiferroicity: the perovskite case

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Eric Bousquet ◽  
Andrés Cano
Keyword(s):  
Reference Materials ◽  
Perovskite Oxides ◽  
Direct Application ◽  
Spin Hamiltonian ◽  
Multiferroic Properties ◽  
Magnetic Orders

AbstractThe most important types of non-collinear magnetic orders that are realized in simple perovskite oxides are outlined in relation to multiferroicity. These orders are classified and rationalized in terms of a mimimal spin Hamiltonian, based on which the notion of spin-driven ferroelectricity is illustrated. These concepts find direct application in reference materials such as BiFeO3, GdFeO3and TbMnO3whose multiferroic properties are briefly reviewed.

scholarly journals Rapid fair sampling of the XY spin Hamiltonian with a laser simulator

2020 ◽  
Vol 2 (3) ◽  
Author(s):  
Vishwa Pal ◽  
Simon Mahler ◽  
Chene Tradonsky ◽  
Asher A. Friesem ◽  
Nir Davidson
Keyword(s):  
Spin Hamiltonian

scholarly journals Inelastic neutron scattering determination of the spin Hamiltonian for BaCdVO(PO4)2

2021 ◽  
Vol 103 (14) ◽  
Author(s):  
V. K. Bhartiya ◽  
S. Hayashida ◽  
K. Yu. Povarov ◽  
Z. Yan ◽  
Y. Qiu ◽  
...  
Keyword(s):  
Neutron Scattering ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron ◽  
Spin Hamiltonian

ESR STUDY OF SPIN-HAMILTONIAN PARAMETERS AND CRYSTAL FIELD ENERGY LEVELS FOR THE LOW C3 SYMMETRY Fe3+ CENTER IN GREEN SAPPHIRE CRYSTALS AND POWDER

2007 ◽  
Vol 21 (04) ◽  
pp. 225-236 ◽  
Author(s):  
P. LIMSUWAN ◽  
N. UDOMKAN ◽  
P. WINOTAI
Keyword(s):  
Rotation Angle ◽  
Energy Levels ◽  
Heat Treating ◽  
Esr Spectra ◽  
Field Energy ◽  
Hamiltonian Matrix ◽  
Magnetic Field Direction ◽  
Spin Hamiltonian ◽  
Corundum Structure ◽  
Hamiltonian Parameters

In this report, Fe 3+ impurity ions present in green sapphire ( Al 2 O 3) were studied experimentally, by heating a light green sapphire in flowing oxygen atmosphere for 12 h from 1200, 1300, 1400, 1500 and 1600°C, respectively. Electron spin resonance (ESR) spectra in X-band (~9.45 GHz ) were recorded by mounting the crystal with the c-axis perpendicular (θ = 90°) to the magnetic field direction. The spectra were recorded and simulated by a numerical diagonalization of spin Hamiltonian matrix in the range from 0 to 180 degrees for every 15 degrees of rotation angle (φ). In our case, only the last two sets of peaks strongly depend on the rotation angle (φ), and each exhibits C 3 symmetry due to two magnetically inequivalent Fe 3+ sites in the corundum structure. For polycrystalline ESR spectra, seven main Fe 3+ ESR absorption peaks occur at the resonance magnetic fields of 100.20, 310.24, 486.80, 525.00, 550.60, 761.00 and 777.00 mT respectively. Specifically, ESR signals show that the number of paramagnetic Fe 3+ ions increase roughly linearly with the heat treating temperature, having the [Formula: see text] ratio ~1.41 at 1600°C.

EPR Spectroscopy Elucidates the Electronic Structure of [FeV(O)(TAML)] Complexes

2021 ◽  
Author(s):  
Yujeong Kim ◽  
Jin Kim ◽  
Linh. K. Nguyen ◽  
Yong-Min Lee ◽  
Wonwoo Nam ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Epr Spectroscopy ◽  
Macrocyclic Ligands ◽  
Spin Hamiltonian ◽  
Pulse Epr ◽  
Hamiltonian Parameters

Multifrequency, multitechnique pulse EPR spectroscopy was employed to unravel the spin Hamiltonian parameters of 17O in the [FeV=O] moiety with two different tetraamido macrocyclic ligands (TAMLs), [FeV(O)(TAML-1)]– (1, H4(TAML-1) =...

scholarly journals Exact mapping between a laser network loss rate and the classical XY Hamiltonian by laser loss control

Nanophotonics ◽  
2020 ◽  
Vol 9 (13) ◽  
pp. 4117-4126 ◽  
Author(s):  
Igor Gershenzon ◽  
Geva Arwas ◽  
Sagie Gadasi ◽  
Chene Tradonsky ◽  
Asher Friesem ◽  
...  
Keyword(s):  
Degrees Of Freedom ◽  
Loss Rate ◽  
Oscillation Amplitude ◽  
Xy Model ◽  
Spin Hamiltonian ◽  
Laser Oscillator ◽  
Physical Systems ◽  
Network State ◽  
Spin Hamiltonians ◽  
Loss Control

AbstractRecently, there has been growing interest in the utilization of physical systems as heuristic optimizers for classical spin Hamiltonians. A prominent approach employs gain-dissipative optical oscillator networks for this purpose. Unfortunately, these systems inherently suffer from an inexact mapping between the oscillator network loss rate and the spin Hamiltonian due to additional degrees of freedom present in the system such as oscillation amplitude. In this work, we theoretically analyze and experimentally demonstrate a scheme for the alleviation of this difficulty. The scheme involves control over the laser oscillator amplitude through modification of individual laser oscillator loss. We demonstrate this approach in a laser network classical XY model simulator based on a digital degenerate cavity laser. We prove that for each XY model energy minimum there corresponds a unique set of laser loss values that leads to a network state with identical oscillation amplitudes and to phase values that coincide with the XY model minimum. We experimentally demonstrate an eight fold improvement in the deviation from the minimal XY energy by employing our proposed solution scheme.

EPR of VO2+ in ZnTiF6 · 6H2O

1996 ◽  
Vol 51 (4) ◽  
pp. 245-248
Author(s):  
Geetha Jayaram ◽  
V. G. Krishnan
Keyword(s):  
Electron Paramagnetic Resonance ◽  
Single Crystals ◽  
Spin Hamiltonian ◽  
Paramagnetic Resonance ◽  
Tutton Salts ◽  
Bonding Parameters ◽  
Superhyperfine Structure ◽  
Vanadyl Ion ◽  
Electron Paramagnetic

Abstract Electron Paramagnetic Resonance (EPR) studies have been carried out on the vanadyl (VO2) ion doped in single crystals of ZnTiF6 • 6H2O. The spectra indicate the presence of one set of eight lines characteristic of only one occupation site. The V-O bond orientation is along one of the three Zn-H2O bond directions in the trigonally distorted [Zn(H2O)6] octahedra. This behaviour is unlike that reported for vanadyl ion substituting for the M(H2O)6 sites in the Tutton salts, alums and AlCl3 • 6H2O. The Spin-Hamiltonian and bonding parameters for the [VO(H2O)5] complex have been evaluated. The hyperfine linewidths are 0.8 mT at 300 K and 77 K. No proton superhyperfine structure was observed at both these temperatures.

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