Search results for "spin"
showing 10 items of 5044 documents
Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
2020
Over the last few years, extraordinary advances in experimental and theoretical tools have allowed us to monitor and control matter at short time and atomic scales with a high degree of precision. An appealing and challenging route toward engineering materials with tailored properties is to find ways to design or selectively manipulate materials, especially at the quantum level. To this end, having a state-of-the-art ab initio computer simulation tool that enables a reliable and accurate simulation of light-induced changes in the physical and chemical properties of complex systems is of utmost importance. The first principles real-space-based Octopus project was born with that idea in mind,…
Spin-parity of the 13.35 MeV state and high-lying states around 20 MeV in excitation energy in 12C nucleus
2021
A study of the 11B(3He,d)12C reaction at incident 3He energy Elab = 25 MeV has been performed at the K-130 cyclotron at the University of Jyväskylä, Finland. Differential cross sections have been measured for the 13.35 MeV state and for the states with excitation energy around 20 MeV in 12C. The data were analyzed with the DWBA method. A tentative assignment, 4−, is given for the state at 13.35 MeV in a joint study of the reaction and inelastic scattering of α-particles with the energy of 110 MeV. For the state at 20.98 MeV, the possible spin-parity 3− and the isospin T =0 are assigned for the first time. Our model description of the broad state at 21.6 MeV is consistent with the previous as…
Signatures of enhanced octupole correlations at high spin in 136Nd
2020
Experimental signatures of moderately enhanced octupole correlations at high spin in 136Nd are indicated for the first time. The extracted dipole moments of two negative-parity bands are only two times smaller than those of the lanthanide nuclei with N≈90 which present well-established octupole correlations. Calculations using the cranked quasiparticle random phase approximation and a model of quadrupole-octupole rotations with octupole vibrations reveal the structure of the bands and the enhanced octupole correlations at high spin in 136Nd. peerReviewed
Supercurrent-induced charge-spin conversion in spin-split superconductors
2018
We study spin-polarized quasiparticle transport in a mesoscopic superconductor with a spin-splitting field in the presence of coflowing supercurrent. In such a system, the nonequilibrium state is characterized by charge, spin, energy, and spin-energy modes. Here we show that in the presence of both spin splitting and supercurrent, all these modes are mutually coupled. As a result, the supercurrent can convert charge imbalance, which in the presence of spin splitting decays on a relatively short scale, to a long-range spin accumulation decaying only via inelastic scattering. This effect enables coherent charge-spin conversion controllable by a magnetic flux, and it can be detected by studyin…
Diseño y síntesis de nuevos materiales conmutables basados en el fenómeno de transición de espín
2023
Esta Tesis Doctoral actúa como compendio de síntesis y caracterización de nuevos materiales, generalmente porosos, que presentan el fenómeno de transición de espín (en inglés Spin Crossover, SCO). El principal objetivo de la Tesis Doctoral ha consistido en el diseño de estos nuevos polímeros de coordinación que combinan de forma sincrónica el fenómeno SCO asociado a los centros metálicos de FeII con otras propiedades de interés, siendo la motivación última su futura aplicación en dispositivos espintrónicos. Más concretamente, los esfuerzos sintéticos se han dedicado a la obtención de polímeros de coordinación de tipo Hofmann 2D que presentan: propiedades anfitrión-huésped selectivas, fluore…
Nuevos materiales moleculares multifuncionales conmutables con transición de espín
2022
Este trabajo de Tesis Doctoral se centra en la síntesis y caracterización de nuevos materiales moleculares conmutables basados en FeII, los cuales presentan el fenómeno de transición de espín (spin crossover, SCO). El objetivo principal de esta tesis doctoral ha sido el diseño y estudio de nuevos materiales multifuncionales de FeII que combinan el comportamiento SCO con otra propiedad físico-química de interés. La estrecha interrelación entre el fenómeno SCO y dicha propiedad ha sido seguida y estudiada por estudios magnéticos, cristalográficos y calorimétricos, entre otros. El capítulo 1 de esta tesis describe los conceptos teóricos más importantes del fenómeno SCO, donde los centros SCO e…
Molecular and supramolecular structures of self-assembled Cu(II) and Co(II) complexes with 4,4’-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3,5-triazine-2,4-…
2020
The molecular and supramolecular structures of [Cu(PTM)Cl2]*0.75MeOH (1), [Co(PTM)Cl2]; (2A) and [Co(PTM)Cl2(EtOH)]; (2B) complexes, where PTM is 4,4’-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3,5-triazine-2,4-diyl]dimorpholine, were presented. In complexes 1 and 2A, the Cu(II) and Co(II) are tetra-coordinated with a distorted tetrahedral coordination environment. In case of complex 2B, an additional ethanol molecule is found coordinated with Co(II) leading to a highly distorted penta-coordinated Co(II) complex. In all cases, the PTM ligand is acting as a bidentate NN-chelate. Hirshfeld surface analysis indicated the importance of H⋯H (49.0–55.1%), Cl⋯H (18.8–20.5%) and O⋯H (8.3–9.9%) contacts in…
Dynamical behavior of a XX central spin model through Bethe ansatz techniques
2009
Carboxylic derivatives of spin-crossover complexes in switchable materials and surfaces
2022
Los compuestos de transición de espín (SCO, de las siglas en inglés spin-crossover) son un ejemplo perfecto de biestabilidad molecular. La transición entre sus estados de alto y bajo espín (HS y LS, de las siglas en inglés, High Spin y Low Spin, respectivamente) se puede controlar mediante estímulos externos como la temperatura, presión, luz, por nombrar unos pocos. Esto los convierte en compuestos muy interesantes para aplicaciones tales como espintrónica, almacenamiento de memoria y dispositivos conmutables. El interés científico en este tipo de moléculas y la búsqueda de aplicaciones ha ido creciendo a lo largo de los años. Para ello, la deposición de dichos compuestos es el primer paso …
Exotic Spin-Orbital Physics in Hybrid Oxides
2016
We compare the effective spin-orbital super\-exchange triggered by magnetic $3d$ impurities with $d^3$ and $d^2$ configurations and either no orbital degree of freedom (orbital dilution) or hole replacing a doublon (charge dilution) in a $4d^4$ Mott insulator with $S=1$ spins. Impurities causing orbital dilution act either as spin defects decoupled from the surrounding ions, or generate orbital polarons along $d^3$-$d^4$ hybrid bonds. The exchange on these bonds determines which orbital is occupied by a doublon on the host site. In case of charge dilution by $3d^2$ impurities additional $\propto T_i^+T_j^+$ terms arise which enhance orbital fluctuations. We show that such terms may radicall…