Search results for "Ground State"
showing 10 items of 928 documents
Slow Relaxation of the Magnetization on Frustrated Triangular FeIII Units with S= 1/2 Ground State: The Effect of the Highly Ordered Crystal Lattice …
2021
In order to understand how the different arrangements of highly ordered triangular FeIII S = 1/2 systems with various types of diamagnetic and paramagnetic anions affect their static and dynamic magnetic properties, we have obtained by solvothermal synthesis four new μ3-oxido trinuclear FeIII compounds, [Fe3O(Ac)6(AcNH2)3][BF4]·(CH3CONH2)0.5(H2O)0.5 (1-BF4), [Fe3O(Ac)6(AcNH2)3][GaCl4] (1-GaCl4), [Fe3O(Ac)6(AcNH2)3][FeCl4] (1-FeCl4) and [Fe3O(Ac)6(AcNH2)3][FeBr4] (1-FeBr4), where, Ac- = CH3COO- and AcNH2 = CH3CONH2. The organization of the triangular units is very varied, from segregated stacks to eclipsed equilateral triangular [Fe3O]+ units along the c-axis with intercalated [MX4]- units. …
Magnetic properties of some rare‐earth magnesium compounds RMg2
1981
The magnetic properties of the compounds PrMg2, NdMg2, DyMg2, and ErMg2 were studied by means of neutron diffraction at various temperatures. All these compounds give rise to ferromagnetic ordering. The absolute values of the magnetic moments in the magnetically ordered state are lower than the free‐ion values. Inelastic neutron scattering at several temperatures was studied in PrMg2 and NdMg2. Analysis of the scattering data in conjunction with the results of specific‐heat and magnetization measurements shows that PrMg2 is an induced‐moment system (G3 ground state), where quadrupolar effects carry a large weight in determining the magnetic properties. The values found for the crystal‐field…
Microwave-free vector magnetometry with nitrogen-vacancy centers along a single axis in diamond
2019
Sensing vector magnetic fields is critical to many applications in fundamental physics, bioimaging, and material science. Magnetic-field sensors exploiting nitrogen-vacancy (NV) centers are particularly compelling as they offer high sensitivity and spatial resolution even at nanoscale. Achieving vector magnetometry has, however, often required applying microwaves sequentially or simultaneously, limiting the sensors' applications under cryogenic temperature. Here we propose and demonstrate a microwave-free vector magnetometer that simultaneously measures all Cartesian components of a magnetic field using NV ensembles in diamond. In particular, the present magnetometer leverages the level ant…
α decay studies of the nuclidesU218andU219
2007
Very neutron deficient uranium isotopes were produced in fusion evaporation reactions using $^{40}\mathrm{Ar}$ ions on $^{182}\mathrm{W}$ targets. The gas-filled recoil separator RITU was employed to collect the fusion products and to separate them from the scattered beam and other reaction products. The activities were implanted into a position sensitive silicon detector after passing through a gas-counter system. The isotopes were identified using spatial and time correlations between the implants and the decays. Two $\ensuremath{\alpha}$-decaying states, with ${E}_{\ensuremath{\alpha}}=(8612\ifmmode\pm\else\textpm\fi{}9)$ keV and ${T}_{1/2}=(0.{51}_{\ensuremath{-}0.10}^{+0.17})$ ms for t…
How important is roaming in the photodegradation of nitrobenzene?
2020
At low excitation energies nitrobenzene photoreleases NO with low translational and rotational energy, while at higher excitation energies NO is photoreleased with both low and high translational and rotational energy. The fast products are formed through a singlet-triplet crossing (STC) region featuring an oxaziridine ring, while a ground state roaming mechanism was suggested to produce the slow molecules. Computing translational and rotational energies performing CASSCF classical dynamics, we here prove how the same oxaziridine STC can account for both fast and slow photoproducts, depending on the region of the seam through which the ground state is populated. A roaming-type STC/CI has al…
Oxygen and vacancy defects in silicon. A quantum mechanical characterization through the IR and Raman spectra.
2021
The Infrared (IR) and Raman spectra of various defects in silicon, containing both oxygen atoms (in the interstitial position, Oi) and a vacancy, are computed at the quantum mechanical level by using a periodic supercell approach based on a hybrid functional (B3LYP), an all-electron Gaussian-type basis set, and the Crystal code. The first of these defects is VO: the oxygen atom, twofold coordinated, saturates the unpaired electrons of two of the four carbon atoms on first neighbors of the vacancy. The two remaining unpaired electrons on the first neighbors of the vacancy can combine to give a triplet (Sz = 1) or a singlet (Sz = 0) state; both states are investigated for the neutral form of …
Regiochemical memory in the adiabatic photolysis of thymine-derived oxetanes. A combined ultrafast spectroscopic and CASSCF/CASPT2 computational stud…
2020
[EN] The photoinduced cycloreversion of oxetanes has been thoroughly investigated in connection with the photorepair of the well-known DNA (6-4) photoproducts. In the present work, the direct photolysis of the two regioisomers arising from the irradiation of benzophenone (BP) and 1,3-dimethylthymine (DMT), namely the head-to-head (HH-1) and head-to-tail (HT-1) oxetane adducts, has been investigated by combining ultrafast spectroscopy and theoretical multiconfigurational quantum chemistry analysis. Both the experimental and computational results agree with the involvement of an excited triplet exciplex(3)[BPMIDLINE HORIZONTAL ELLIPSISDMT]* for the photoinduced oxetane cleavage to generate(3)…
Field-Induced Slow Magnetic Relaxation In the First Dy(III)-centered 12-Metallacrown-4 Double-Decker
2019
The reaction of Dy(O2CMe)3·xH2O and Ga(NO3)3·xH2O led to the isolation of (nBu4N)[GaIII8DyIII(OH)4(shi)8] (1). The compound possesses a unique chemical structure enclosing the central magnetic DyIII ion between diamagnetic GaIII-based metallacrown 12-MC-4 ligands. The double-decker complex exhibits field-induced single-molecule magnet (SMM) behaviour with an effective energy barrier (Ueff) of 39 K (27.1 cm−1). Consistent with the observed slow relaxation of magnetization, theoretical calculations suggest a ground state mainly determined by |±11/2> in the easy axis direction.
Methane line parameters in the HITRAN2012 database
2013
International audience; The compilation of methane molecular line parameters was updated to include new global analyses and measurements for 12CH4, 13CH4 and 12CH3D. Over 70% of the methane parameters in HITRAN2008 were replaced; existing parameters retained were the microwave lines and the Dyad of 13CH4 near 7 μm and ν6 of 13CH3D near 8.7 μm, 12CH3D (7-4076 cm-1), hot bands of 12CH4 (1887-3370 cm-1) and normal sample CH4 (4800-5550 cm-1 and 8000-9200 cm-1). With a minimum intensity at 296 K in units of cm-1/(molecule cm-2) set to 10-37 for the far-IR and 10-29 for the mid- and near-IR, the methane database increased from 290,091 lines in HITRAN2008 to 468,013 lines, and three-fourths of th…
Structural and Mössbauer study of (Sb0.70Te0.30)100-x Snx alloys with x = 0, 2.5, 5.0 and 7.5
2019
(Sb 0.70 Te 0.30 ) 100-x Sn x alloys (with x = 0, 2.5, 5.0 and 7.5 at. %)have been synthesized and characterized in order to determine the crystalline structure and properties of materials obtained upon solidification and to extract information about the location of the Sn atom in the Sb-Te matrix. Powder X-ray diffraction (XRD)has been used to determine the crystalline structure, whereas Mössbauer spectroscopy has been utilized to determine the localization and the local structure of the Sn atom in the Sb-Te matrix through the hyperfine interactions of the 119 Sn probe with its environment. We found that Sb 70 Te 30 crystallizes in a trigonal structure belonging to P-3m1 space group, while…