Thermal spin crossover in Fe(ii) and Fe(iii). Accurate spin state energetics at the solid state
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Collective magnetic excitations are a fascinating aspect of condensed matter physics, where neutron scattering can provide valuable insight into the magnetic properties of physical realisations of model systems. This thesis focuses on the excitation spectr ...
The time-window for processing electron spin information (spintronics) in solid-state quantum electronic devices is determined by the spin-lattice and spin-spin relaxation times of electrons. Minimizing the effects of spin-orbit coupling and the local magn ...
Metal organic supramolecular chemistry on surfaces has matured to a point where its underlying growth mechanisms are well understood and structures of defined coordination environments of metal atoms can be synthesized in a controlled and reproducible proc ...
Band inversion, one of the key signatures of time-reversal invariant topological insulators (TIs), arises mostly due to the spin-orbit (SO) coupling. Here, based on ab initio density-functional calculations, we report a theoretical investigation of the SO- ...
The water exchange reactions of PuO2(OH2)(5) and UO2(OH2)(5) were investigated with density functional theory (DFT) and wave function theory (WFT). Geometries and vibrational frequencies were calculated with DFT and CPCM hydration. The electron ...
Two-dimensional electron gases (2DEGs) forming at the interfaces of transition metal oxides(1-3) exhibit a range of properties, including tunable insulator-superconductor-metal transitions(4-6), large magnetoresistance(7), coexisting ferromagnetism and sup ...
The electronic configuration of the molecule is the foundation of its structure and reactivity. The spin state is one of the key characteristics arising from the ordering of electrons within the molecule’s set of orbitals. Organic molecules that have open-s ...
The valley degree of freedom is intrinsic to spin qubits in Si/SiGe quantum dots. It has been viewed alternately as a hazard, especially when the lowest valley-orbit splitting is small compared to the thermal energy, or as an asset, most prominently in pro ...
Valence and spin states of Fe were investigated in a glass of almandine (Fe3Al2Si3O12) composition to 91 GPa by X-ray emission spectroscopy and energy- and time-domain synchrotron Mossbauer spectroscopy in the diamond-anvil cell. Changes in optical propert ...
In the spin-crossover compound Fe(6-mepy)(3)tren(2), (6-mepy)(3)tren=tris{4-[(6-methyl)-2-pyridyl]-3-aza-butenyl}amine, the high-spin state can be populated as a metastable state below the thermal transition temperature via irradiation into the meta ...