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1.
Electron paramagnetic resonance (EPR) study of Cu2+-doped sodium zinc sulfate tetrahydrate is done at liquid nitrogen temperature. Two magnetically equivalent sites for Cu2+ are observed. The spin-Hamiltonian parameters determined by fitting the EPR spectra to the rhombic-symmetry crystalline field
are g
x
= 2.2356, g
y
= 2.0267, g
z
= 2.3472, A
x
= 27 × 10−4 cm−1, A
y
= 54 × 10−4 cm−1and A
z
= 88 × 10−4 cm−1. The ground state wave function is also determined. The g-anisotropy is evaluated and compared with the experimental value. With the help of optical study, the nature of bonding in
the complex is discussed. 相似文献
2.
V. R. Galakhov M. Neumann D. G. Kellerman 《Applied Physics A: Materials Science & Processing》2009,94(3):497-500
X-ray absorption, resonant X-ray emission, and X-ray photoelectron spectroscopical methods have been applied for the study
of the electronic structure of defective lithium cobaltites Li
x
CoO2 (0.6≤x≤1.0). Resonant O K
α X-ray emission spectra of LiCoO2 showed localized excitonic states due to a dd transition between occupied and unoccupied Co 3d states. On the base of measurements of Co 3s X-ray photoelectron, Co 2p, and O 1s X-ray absorption spectra, it was established that in defective cobaltites the electronic holes are localized mainly in O
2p states. An evidence of phase separation in Li
x
CoO2 has been found. It was shown that the semiconductor-to-metal transition in Li
x
CoO2 (x<0.76) at about 160 K is not accompanied by changes in the Co 3d electronic configuration which remains 3d
6. 相似文献
3.
Single-crystal electron paramagnetic resonance (EPR) studies at X-band have been done on Cu2+-doped potassium hexaaquazinc (II) sulphate (PHZS) at room temperature. The spin Hamiltonian parameters g, A and their direction cosines are evaluated using standard diagonalization procedure with the help of a computer program. The
EPR spectrum is simulated using EasySpin program to justify the calculations. The ground-state wave function of the Cu2+ ion in this lattice is also determined, which is predominantly |x
2 − y
2〉. The optical absorption spectrum of Cu2+ ions doped in PHZS single crystal at room temperature is also recorded and four main d–d transition bands in visible region are assigned. With the help of assigned bands, the crystal-field parameters (Dq, Ds and
Dt) are evaluated. Finally, with the optical and EPR data, the nature of bonding in the complex is discussed. 相似文献
4.
The electron paramagnetic resonance (EPR) parameters (g
‖ andg
⊥ factors and hyperfine structure constantsA
‖,A
⊥) for Co2+ in Ca(OH)2 are studied from the second-order perturbation formulas on the basis of the cluster approach. In these formulas, the contributions
to EPR parameters from the state interactions and covalency effects are considered and the parameters related to both effects
are obtained from the optical spectra and impurity structure of the studied system. From the study, it is found that the β
angle between the metal-ligand bond and the C3 axis changes from 61° in a pure crystal to 53.68(26)° in the impurity center of a Co2+-doped Ca(OH)2 crystal because of the impurity-induced local lattice relaxation. The reduction of the angle β in the impurity center is
also supported by the result obtained by analyzing the EPR zero-field splitting for Mn2+ in the same Ca(OH)2 crystal. The EPR parameters of Ca(OH)2:Co2+ are also reasonably explained by considering the suitable local lattice relaxation. 相似文献
5.
T.?Raghavendra Rao Ch.?Rama Krishna U.?S.?Udayachandran Thampy Ch.?Venkata Reddy Y.?P.?Reddy P.?Sambasiva Rao
Physical and spectral studies on 20ZnO + xLi2O + (30-x)Na2O + 50B2O3 (5 ≤ x ≥ 25) doped with 0.1 mol% of paramagnetic CuO impurity are carried out. Powder X-ray diffraction patterns of the glass samples
confirm the amorphous nature. The physical parameters of all the glasses were also evaluated with respect to the composition.
The electron paramagnetic resonance spectra of all these glasses exhibit resonance signals that are characteristic of Cu2+ ions. The optical absorption spectra also confirm the Cu2+ ion in tetragonally elongated octahedral site. Various crystal field, spin-Hamiltonian and bonding parameters are evaluated.
It is observed that the mixed alkali effect is significant. 相似文献
6.
X. G. Wu M. J. Wan C. Q. Song T. Gao 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2010,60(2):263-267
Electronic structure and spectroscopic properties B
e, ωe, ωe
x
e, αe, T
e
of ground state and the low-lying excited states of HF+ and HF- molecular ions were
investigated within scalar relativistic multireference configuration
interaction with single and double excitations framework using the GAMESS-US
program package. All potential energy curves (PECs) were calculated using
the relativistic complete active space self-consistent field/spin-orbit
multi-configuration quasi-degenerate perturbation theory (CASSCF/SO-MCQDPT).
The curves are all fitted to the analytical potential energy function
(APEF), from which accurate spectroscopic constants are derived. The
spin-orbit splitting was also been studied, the split value of X2P^{2}{\rm \Pi} state of HF+ is determined to be 288.38 cm-1. The calculated properties are in good agreement with the available experimental value.
Spectroscopic constants of the ground states of HF- that have never
been observed in experiment are obtained. These curves provide an
interpretation of the known experimental observations on this system and
suggest a number of further experiments which possible provide a critical
test of this data. 相似文献
7.
The natural forsterites and their synthetic analogs were investigated on a wide-band EPR spectrometer in the frequency region
of 65–850 GHz. Two types of non-Kramers ions Fe2+ were discovered at the site M1 (inversion symmetry) and M2 (mirror plane symmetry). The ratio of concentrations of Fe2+ in these positions was measured in synthetic and natural crystals. The features of EPR spectra of synthetic and natural forsterite
are discussed. Spin Hamiltonian with S = 1 was used for theoretical treatment of angular and field–frequency dependences. 相似文献
8.
The electron paramagnetic resonance (EPR) parameters (g-factors g
‖, g
⊥ and zero-field splitting D) of two tetragonal 3d3 impurity centers M3d-VMg and M3d-Li+ (where M3d = Cr3+ or Mn4+, VMg is the Mg2+ vacancy) in M3d-doped MgO crystals are calculated from the high-order perturbation formulas including both the crystal-field (CF) and the
charge-transfer (CT) mechanisms for 3d3 ions in the tetragonal symmetry. The calculated results are in reasonable agreement with the experimental values. From the
calculations, it can be found that the relative importance of the CT mechanism for EPR parameters increases with increasing
valence state of the 3d3 ion. So, for the high-valence 3d
n
ions in crystals, a reasonable explanation of EPR parameters should take into account both CF and CT mechanisms. The defect
structures (characterized by the displacement ΔR of O2− in the intervening M3d and VMg or Li+ at the Mg2+ site) for these tetragonal impurity centers are obtained from the calculations. The results are consistent with the expectations
based on the electrostatic interactions. 相似文献
9.
The vibration frequencies of unstable ferroelectric and antiferrodistortion modes and the dependences of the energy on the
ion displacement amplitude have been calculated within the generalized Gordon-Kim model for distortions along eigenvectors
of these modes in the mixed compounds Sr1 − x
A
x
Ti1 − x
/4□
x/4O3 and Sr1 − y
A
2y
/3□
y/3TiO3 (A = Sc3+, In3+, La3+, Bi3+; □ is the vacancy). To compensate an excess positive charge, vacancies are introduced into the Ti4+ or Sr2+ site. Calculations have been performed in the “daverage” crystal approximation for impurity concentrations of 0.25 and 0.50.
To this end, a set of 40 atomic superlattices with various orderings of heterovalent ions Sr2+ and impurity A
3+ has been considered. It has been found that each impurity type, independently of charge balance, induces ferroelectric instabilities
in doped compounds. In the case of doping with In3+ and La3+ for concentration x = 0.25, the possibility of rotating the polarization vector has been shown. 相似文献
10.
H. Röpke J. Brenneisen M. Lickert 《The European Physical Journal A - Hadrons and Nuclei》2002,14(2):159-167
Eight high-spin states in 36Ar below 10MeV excitation energy, among them a prospective J
π = 8- state at 9408keV and the J? 8 levels of the recently discovered superdeformed rotational band, have been observed by n-γ coincidence measurements with
the 33S(α, nγ) reaction at E
α = 14.4 and 13.4MeV. High-spin assignments of, respectively, J
π = 6+ and 5- were obtained for the E
p = 1209 and 1462keV (E
x = 9682 and 9927keV) resonances of the 35Cl (p,γ) reaction by a measurement of γ-ray angular distributions. The spectrum of the high-spin and of the E
x? 7.4MeV levels is decomposed according to the underlying shell model configurations with n = 0, 1, 2, 4 particles excited from the N = 2 into the N = 3 major shell. The role of four-particle excitations, all connected with large prolate distortions, is elucidated for the
entire A = 36-40 mass region.
Received: 21 December 2001 / Accepted: 25 March 2002 相似文献
11.
P. Mohr 《The European Physical Journal A - Hadrons and Nuclei》2007,34(1):23-28
α-decay half-lives for 104, 105, 106Te and 108, 109, 110Xe close above the doubly-magic 100Sn are calculated from systematic double-folding potentials. The derived α preformation factors are compared to results for
212, 213, 214Po and 216, 217, 218Rn above the doubly-magic 208Pb. α-decay energies of Q
α = 5.42±0.07MeV and 4.65±0.15MeV are predicted for 104Te and 108Xe; the corresponding half-lives are T
1/2 ≈ 5ns for 104Te and of the order of 60μs for 108Xe. Additionally, the properties of rotational bands in 104Te are analyzed, and the first excited 2+ state in 104Te is predicted at E
x = 650±40keV; it decays preferentially by γ emission with a reduced transition strength of 10 Weisskopf units to the ground
state of 104Te and with a minor branch by α emission to the ground state of 100Sn. 相似文献
12.
The preparation of (La9.33−2x/3Sr
x
□0.67−x/3)Si6O24O2 (0 ≤ x ≤ 2) samples with different amounts of cation vacancies is reported. Structure and unit-cell parameters were deduced by Rietveld
analysis of XRD patterns. Structural features that enhance oxygen conductivity in Sr-doped apatites are discussed. Up to three
components were detected in 29Si MAS-NMR spectra which change with the amount and distribution of cation vacancies. In general, oxygen conductivity increases
with the amount of vacancies at La1 (6h) sites, passing through a maximum for x = 0.4. In the case of activation energy, a minimum is detected near x = 1.2, indicating that entropic and enthalpic change in different ways. The presence of cation vacancies should enhance oxygen
hopping along c-axis; however, the analysis of the frequency dependence of conductivity suggests that oxygen motions are produced along three
axes. 相似文献
13.
The results of investigation of electron paramagnetic resonance of Er3+ ions in the thermally populated first excited state in (Y1 − x
Lu
x
)3Al5O12 (YLuAG) mixed yttrium-lutetium garnet single crystals (0 ≤ x ≤ 1) are considered. In composition-disordered YLuAG, a number of new (as compared to Y3Al5O12 (YAG)) Er3+ paramagnetic centers are detected; these centers appear due to a change in the crystal field symmetry and magnitude upon
isomorphic substitution of Lu3+ for Y3+ in the yttrium sublattice of garnets. The origin of new paramagnetic centers is established and their formation probability
is calculated. 相似文献
14.
Bulk superconducting samples of type Tl0.5Pb0.5Sr1.6Ba0.4CaCu2−x
Ru
x
O7−δ, (Tl, Pb)/Sr-1212, with 0.0 ≤ x ≤ 0.525 were prepared by the conventional one-step solid-state reaction technique. The prepared samples were investigated
using X-ray powder diffraction, electrical resistivity and electron paramagnetic resonance (EPR) measurements. Enhancement
of the phase formation, superconducting transition temperature T
c and hole carriers concentration P was observed up to x = 0.075. For x > 0.075, a reverse trend was observed. EPR spectra were measured at different temperatures (120–290 K) for all prepared samples.
The number of spins N participating in the resonance and the paramagnetic susceptibility χ were calculated as a function of both Ru-content and
temperature. N and χ increased as the Ru-content increased. A linear relationship between logN and 1/T was established, from which the activation energy E
a was calculated as a function of the Ru-content. The temperature dependence of χ was fitted according to Curie–Weiss type
of magnetic behavior. Curie constant C, Curie temperature θ, the effective magnetic moment μ and the electronic specific heat γ were estimated as a function of the Ru-content. 相似文献
15.
Sayan Bhattacharyya Sajith Kurian S. M. Shivaprasad N. S. Gajbhiye 《Journal of nanoparticle research》2010,12(4):1107-1116
A new ternary nitride, CoMoN2, was prepared in the nanosize regime of 9.0 ± 2.0 nm, by nitridation of the precursor intermetallic nitride Co3Mo3N. XRD–Rietveld analysis revealed the presence of 0.60 (±0.02) mass % of Co impurity phase. The calculated space groups of
CoMoN2 and Co are P6
3
/mmc and Fm-3m, respectively. The N atoms lie at the interstitial sites and the 12 calculated nitrogen sites indicate the presence of a
layered structure. The XPS studies indicated the presence of the nitride and surface oxynitride/oxide phases. CoMoN2 is an interstitial nitride with Co and Mo in the zero oxidation state. The room temperature susceptibility is estimated after
subtracting the ferromagnetic contribution from cobalt and found to be 2.7 × 10−4 emu g−1 Oe−1, indicating the Pauli-paramagnetic nature. The ferromagnetic exchange interactions between the Co atoms in CoMoN2 are reduced due to the presence of Mo and N in the crystal lattice. The hysteresis loop shift 19 Oe is attributed to the
demagnetizing dipolar fields created in the soft CoMoN2 phase by the hard Co phase. 相似文献
16.
L. Martiška L. Husáriková Z. Repická D. Valigura M. Valko M. Mazúr 《Applied magnetic resonance》2011,40(3):405-411
As a continuation of our previous study of Cu(II) ternary complexes, two new systems containing 5-chlorosalicylic acid (5-ClsalH)
and different Cu(II) salts, with varying N,N-diethylnicotinamide (denia) concentrations, system III [CuSO4(aq) + 2(5-ClsalH(solv)) + xdenia(l)] and system IV [Cu(ac)2(aq) + 2(5-ClsalH(solv)) + xdenia(l)], where x = 0, 2, 4, 6 and 8, were prepared. The effects of Cu(II) salts containing anions of different basicity and N-donor ligand
(denia) with varying ligand-to-metal ratio (x) on the formation of resulting complexes were studied by electron paramagnetic resonance (EPR) spectroscopy in frozen water–methanol
solutions. Well-resolved 14N superhyperfine splitting lines (nonet) in the perpendicular region of the second-derivative axially symmetric Cu(II) EPR
spectra indicated that for x > 4 in system III and for x ≥ 2 in system IV, four equivalent nitrogens could be coordinated to the central Cu(II) ions in the equatorial plane. Such
information cannot be obtained by EPR spectroscopy of powder samples of the given Cu(II) complex systems. The differences
between denia and ronicol containing Cu(II) complexes are discussed. 相似文献
17.
Ana Paula A. Marques Marcos Takashi S. Tanaka Elson Longo Edson R. Leite Ieda Lucia Viana Rosa 《Journal of fluorescence》2011,21(3):893-899
SrMoO4 doped with rare earth are still scarce nowadays and have attracted great attention due to their applications as scintillating
materials in electro-optical like solid-state lasers and optical fibers, for instance. In this work Sr1−xEuxMoO4 powders, where x = 0.01; 0.03 and 0.05, were synthesized by Complex Polymerization (CP) Method. The structural and optical
properties of the SrMoO4:Eu3+ were analyzed by powder X-ray diffraction patterns, Fourier Transform Infra-Red (FTIR), Raman Spectroscopy, and through Photoluminescent
Measurements (PL). Only a crystalline scheelite-type phase was obtained when the powders were heat-treated at 800 °C for 2 h,
2θ = 27.8° (100% peak). The excitation spectra of the SrMoO4:Eu3+ (λEm. = 614 nm) presented the characteristic band of the Eu3 + 5L6 transition at 394 nm and a broad band at around 288 nm ascribed to the charge-transfer from the O (2p) state to the Mo (4d)
one in the SrMoO4 matrix. The emission spectra of the SrMoO4:Eu3+ powders (λExc. = 394 and 288 nm) show the group of sharp emission bands among 523–554 nm and 578–699 nm, assigned to the 5D1→7F0,1and 2 and 5D0→7F0,1,2,3 and 4, respectively. The band related to the 5D0→7F0 transition indicates the presence of Eu3+ site without inversion center. This hypothesis is strengthened by the fact that the band referent to the 5D0→7F2 transition is the most intense in the emission spectra. 相似文献
18.
A two-photon impurity absorption coefficient of the “quantum dot — D(−)-center” complexes synthesized in a transparent dielectric matrix is calculated within the model of zero-radius potential.
The evolution of spectral dependence of the absorption coefficient of the nanoheterostructure based on semiconductor CdS
x
Se
1−x
glasses is studied versus the average quantum-dot radius. It is shown that the contribution of the two-photon impurity absorption
to the exited two-photon luminescence is fairly significant at a reasonable quantum-dot concentration.
__________
Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 7, pp. 46–50, July, 2005. 相似文献
19.
27Al magic-angle spinning (MAS) nuclear magnetic resonance (NMR) spectra were acquired at 8.45, 14.1 and 16.45 T for a series
of aluminium borates with the mullite structure (Al6−x
B
x
O9, where x has nominal values of 1 to 4) augmented with 27Al multiple-quantum MAS NMR spectra at 8.45 T. Even though the 27Al NMR spectra are complex, simulation of the combined set of data produced a relatively well-defined set of parameters (e.g.,
quadrupolar interaction, isotropic chemical shift, etc.) for each site. The 11B MAS NMR spectra of the same compounds were also acquired at 14.1 T. Linear changes in the X-ray a-, b- and c-cell parameters with composition suggest that these compounds constitute a continuous series. Based on a Rietveld structural
refinement of the compound synthesized as Al4B2O9, the resulting site occupancies and relative site distortions allow the identification of particular sites with specific
NM resonances. Changes in the 27Al and 11B MAS NMR spectra of the related compounds with x = 1–4 show at the lowest Al contents a greater degree of asymmetry in the Al sites of the octahedral chains. A fairly distorted
cross-linking tetrahedral site, which persists throughout the composition range, is accompanied in the lower Al compositions
by two 5-fold coordinated Al–O units which are replaced by two more-regular tetrahedral Al–O sites as the Al content increases.
In the compounds of lowest Al composition (i.e., highest B content) both the tetrahedral and trigonal cross-linking sites
are distinguishable, but as the Al content increases, the BO4 units progressively disappear.
Authors' address: Kenneth J. D. MacKenzie, School of Chemical and Physical Sciences, Victoria University of Wellington, P.O.
Box 600, Wellington, New Zealand 相似文献
20.
The heavy-fermion metal CePd1−x
Rh
x
can be tuned from ferromagnetism at x = 0 to the nonmagnetic state at some critical concentration x
c
. The non-Fermi liquid behavior (NFL) at x ≃ x
c
is recognized by the power-law dependence of the specific heat C(T) given by the electronic contribution susceptibility X(T) and volume expansion coefficient α(T) at low temperatures: C/T ∝ X(T) ∝ α(T)/T∝ 1/ √T. We also demonstrate that the behavior of the normalized effective mass M
N
*
observed in CePd1−x
Rh
x
at x ≃ 0.8 agrees with that of M
N
*
observed in paramagnetic CeRu2Si2 and conclude that these alloys exhibit the universal NFL thermodynamic behavior at their quantum critical points. We show
that the NFL behavior of CePd1−x
Rh
x
can be accounted for within the frameworks of the quasiparticle picture and fermion condensation quantum phase transition,
while this alloy exhibits a universal thermodynamic NFL behavior that is independent of the characteristic features of the
given alloy such as its lattice structure, magnetic ground state, dimension, etc.
The text was submitted by the authors in English. 相似文献