Search results for "Ground state"
showing 10 items of 928 documents
Differences and Similarities between the Isotypic AntimonidesMFe1−xSb, ScCo1−xSb, andMNiSb (M=Zr, Hf)
1999
The new antimonides MFe{sub 1{minus}x}Sb can be synthesized by arc-melting of M, Fe, and MSb{sub 2} (M = Zr, Hf). All title compounds crystallize in the TiNiSi structure type (space group Pnma, Z = 4). The lattice parameters of the new phases of MFe{sub 1{minus}x}Sb, as obtained from the bulk samples of the nominal compositions MFeSb, are a = 681.4(1) pm, b = 417.87(7) pm, c = 740.3(1) pm for ZrFe{sub 1{minus}x}Sb and a = 674.0(1) pm, b = 412.0(2) pm, c = 729.7(2) pm for HfFe{sub 1{minus}x}Sb. Under the reaction conditions used, the occupancy factors of the iron position content of ZrFe{sub 1{minus}x}Sb does not exceed 68(1)% (i.e., x = 0.32(1)). Extended Hueckel calculations, performed on …
Stacking faults in close-packed clusters
2002
Ground state geometries of small hard sphere clusters were studied using two different type of contact interaction, a pair-potential and a many-atom interaction. Monte Carlo method in an FCC lattice with all possible (111) stacking faults was used to obtain the minimum energy geometries for clusters up to 59 atoms. Due to the surface energy, FCC packing is generally favoured as opposite to the HCP structure. However, in most cluster sizes the ground state obtained with the many-atom interaction has one or more stacking faults. The most symmetric geometry is usually not the ground state. Clusters with 59 and 100 atoms were studied due the possibility of a high symmetry cluster with stacking …
Influence of the pyrazine substituent on the structure and magnetic properties of dicyanamide-bridged cobalt(ii) complexes.
2019
Substituted pyrazines were successfully used to prepare two new coordination polymers of formulas {[Co(dca)2(NH2pyz)2]·H2O}n (1) and [Co3(dca)6(HOpyz)5(H2O)2]n (2) [dca = dicyanamide, NH2pyz = 2-aminopyrazine and HOpyz = 2-hydroxypyrazine] whose structures were determined by single-crystal X-ray crystallography. The structure of 1 consists of a two-dimensional rhombus grid of cobalt(II) ions where the dca ligand adopts the μ1,5 bridging mode with trans-positioned monodentate NH2pyz molecules completing the six-coordination around each metal ion. Compound 2 exhibits a stair-like two-dimensional structure where the intralayer connections are performed by the dca and HOpyz groups exhibiting μ1…
Is light narrowing possible with dense-vapor paraffin coated cells for atomic magnetometers?
2017
We investigated the operation of an all-optical rubidium-87 atomic magnetometer with amplitude-modulated light. To study the suppression of spin-exchange relaxation, three schemes of pumping were implemented with room-temperature and heated paraffin coated vacuum cells. Efficient pumping and accumulation of atoms in the F=2 ground state were obtained. However, the sought-for narrowing of the resonance lines has not been achieved. A theoretical analysis of the polarization degree is presented to illustrate the absence of light narrowing due to radiation trapping at high temperature.
Zero-field magnetometry based on nitrogen-vacancy ensembles in diamond
2018
Ensembles of nitrogen-vacancy (NV) centers in diamonds are widely utilized for magnetometry, magnetic-field imaging and magnetic-resonance detection. They have not been used for magnetometry at zero ambient field because Zeeman sublevels lose first-order sensitivity to magnetic fields as they are mixed due to crystal strain or electric fields. In this work, we realize a zero-field (ZF) magnetometer using polarization-selective microwave excitation in a 12C-enriched HPHT crystal sample. We employ circularly polarized microwaves to address specific transitions in the optically detected magnetic resonance and perform magnetometry with a noise floor of 250 pT/Hz^(1/2). This technique opens the …
Optical properties of exciton confinement in spherical ZnO quantum dots embedded in matrix
2009
Abstract The optical characteristics of ZnO nanoparticles in SiO2 matrix have been determined by UV–visible and photoluminescence (PL) studies. The PL spectrum of the ZnO quantum dots shows two different bands: the first one is a broad green emission band related to deep level emission in the visible range and the second one is situated at 3.48 eV in the ultraviolet region, and is attributed to the recombination of electrons in the conduction band and holes in the valence band. The experimental result that we found was simulated numerically using different methods. Our calculations revealed a good agreement between the matrix element calculation method and the experimental result. We have a…
The interaction of photoexcited carbon nanodots with metal ions disclosed down to the femtosecond scale
2017
Fluorescent carbon nanodots are a novel family of carbon-based nanoscale materials endowed with an outstanding combination of properties that make them very appealing for applications in nanosensing, photonics, solar energy harvesting and photocatalysis. One of the remarkable properties of carbon dots is their strong sensitivity to the local environment, especially to metal ions in solution. These interactions provide a testing ground for their marked photochemical properties, highlighted by many studies, and frequently driven by charge transfer events. Here we combine several optical techniques, down to femtosecond time resolution, to understand the interplay between carbon nanodots and aq…
Double-modulation sideband spectroscopy: μ0 and μ33 of silicon tetrafluoride
1992
Abstract The linear Stark effect in the ν 3 fundamental of 28 SiF 4 has been investigated with IR-IR double resonance employing CO 2 laser sidebands at microwave modulation frequencies. The frequencies needed for the double-resonance experiment were generated from one laser line by a novel double-modulation technique. As a result, the parameter of the vibration-induced dipole moment was determined to μ 33 = −0.10288(56) D. For the centrifugal distortion moment in the ν 3 excited state the value μ 0 = 6.06(36) × 10 −7 D was found. From the Stark splitting in the vibrational ground state, μ 0 = 6.81(10) × 10 −7 was determined.
A diamagnetic iron complex and its twisted sister – structural evidence on partial spin state change in a crystalline iron complex
2021
We report here the syntheses of a diamagnetic Fe complex [Fe(HL)2] (1), prepared by reacting a redox non-innocent ligand precursor N,N′-bis(3,5-di-tert-butyl-2-hydroxy-phenyl)-1,2-phenylenediamine (H4L) with FeCl3, and its phenoxazine derivative [Fe(L′)2] (2), which was obtained via intra-ligand cyclisation of the parent complex. Magnetic measurements, accompanied by spectroscopic, structural and computational analyses show that 1 can be viewed as a rather unusual Fe(III) complex with a diamagnetic ground state in the studied temperature range due to a strong antiferromagnetic coupling between the low-spin Fe(III) ion and a radical ligand. For a paramagnetic high-spin Fe(II) complex 2 it wa…
Spin state, electronic structure and bonding on C-scorpionate [Fe(II)Cl2(tpm)] catalyst: An experimental and computational study
2020
Abstract The Fe(II) spin state in the condensed phase of [Fe(II)Cl2(tpm)] (tpm = [tris(pyrazol-1-yl)methane]; 1) catalyst has been determined through a combined experimental and theoretical investigation of X-Ray Absorption Spectroscopy (XAS) at the FeL2,3-edges and NK-edge. Results indicated that in this phase a mixed singlet/triplet state is plausible. These results have been compared with the already know Fe singlet spin state of the same complex in water solution. A detailed analysis of the electronic structure and bonding mechanism of the catalyst showed that the preference for the low-spin diamagnetic ground state, strongly depends upon the ligands, the bulk solvent and the interactio…