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Wyświetlanie 1-15 z 76
Tytuł:
Comparative analysis of experimental and theoretical zero-field splitting and Zeeman electronic parameters for Fe²⁺ ions in FeX₂·4H₂O (X = F, Cl, Br, I) and [Fe(H₂O)₆](NH₄)₂(SO₄)₂
Autorzy:
Zając, M.
Rudowicz, C.
Powiązania:
https://bibliotekanauki.pl/articles/1055040.pdf
Data publikacji:
2017-07
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
33.35.+r
71.70.Ch
71.70.Ej
76.20.+q
76.30.-v
76.30.Fc
87.80.Lg
Opis:
Spectroscopic and magnetic properties of Fe²⁺ (3d⁶; S=2) ions at orthorhombic sites in FeX₂·4H₂O (X = F, Cl, Br, I) crystals are compared with those in [Fe(H₂O)₆](NH₄)₂(SO₄)₂ (FASH). The microscopic spin Hamiltonian modeling utilizing the package MSH/VBA enables prediction of the zero-field splitting parameters and the Zeeman electronic ones. Wide ranges of values of the microscopic parameters, i.e. the spin-orbit (λ), spin-spin (ρ) coupling constants, and the crystal-field (ligand-field) energy levels (Δp_{i}) within the ⁵D multiplet are considered to establish the dependence of the zero-field splitting parameters b_{k}^{q} (in the Stevens notation) and the Zeeman factors g_{i} on λ, ρ, and Δp_{i}. By matching the theoretical spin Hamiltonian parameters and the experimental ones measured by EMR, the suitable values of λ, ρ, and Δp_{i} are determined. The novel aspect is prediction of the fourth-rank zero-field splitting parameters and the ρ (spin-spin)-related contributions, not considered in previous studies. The MSH predictions provide guidance for high-magnetic field and high-frequency EMR measurements.
Źródło:
Acta Physica Polonica A; 2017, 132, 1; 19-23
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Conversions of the Second-Rank Zero Field Splitting Parameters Measured Assuming the Fictitious Spin S=1 to those for the Effective Spin S̃=2
Autorzy:
Kozanecki, M.
Rudowicz, C.
Powiązania:
https://bibliotekanauki.pl/articles/1030215.pdf
Data publikacji:
2017-07
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
71.70.Ch
75.10.Dg
76.30.-v
76.30.Fc
Opis:
We investigate feasibility of comparison between the zero field splitting parameters obtained experimentally based on the spin Hamiltonian with the fictitious spin S'=1 and those with the effective spin S̃=2. The former zero field splitting parameters have recently been measured for Fe²⁺ ions in forsterite Mg₂SiO₄, whereas the latter zero field splitting parameters are available in literature, e.g. for Fe²⁺ and Cr²⁺ (S̃=2) ions. It turns out that no unique direct comparison is feasible and hence appropriate conversion relations need to be derived. Methodology for such conversions is outlined. Various combinations of the possible energy level schemes for the spin S̃=2 and S'=1 are briefly described. Illustrative preliminary results concerning appropriate conversions of the second-rank zero field splitting parameters measured by high-frequency EMR for Fe²⁺ in natural and synthetic forsterite are presented. Detailed results and full analysis will be given elsewhere.
Źródło:
Acta Physica Polonica A; 2017, 132, 1; 11-14
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
EMR Data on Mn(III; S=2) Ions in MnTPPCl Complex Modelled by Microscopic Spin Hamiltonian Approach
Autorzy:
Tadyszak, K.
Rudowicz, C.
Powiązania:
https://bibliotekanauki.pl/articles/1030216.pdf
Data publikacji:
2017-07
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
33.35.+r
71.70.Ch
71.70.Ej
76.20.+q
76.30.-v
76.30.Fc
87.80.Lg
Opis:
The electron magnetic resonance data on high-spin (S =2) manganese(III) 3d⁴ ion in tetraphenylporphyrinato chloride complex (MnTPPCl) obtained by high-frequency techniques are reanalysed. Preliminary results of semiempirical modeling of the spin Hamiltonian parameters for Mn(III) in MnTPPCl are presented. The microscopic spin Hamiltonian approach is utilized to predict the zero-field splitting and the Zeeman electronic parameters. It is found that for Mn(III) ions in MnTPPCl matching the experimental spin Hamiltonian parameters and the theoretical ones based on the ligand-field energy levels (Δ_{i}) within the ⁵D multiplet only may not be suitable for this system. Contributions due to the levels arising from the higher-lying ³H multiplet need to be taken into account in order to determine the reasonable values of microscopic parameters describing Mn(III) ions in MnTPPCl.
Źródło:
Acta Physica Polonica A; 2017, 132, 1; 15-19
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
EPR Study of Dealuminated HY Zeolite and Silica Containing Cu-Mn-Zn Spinels: The Effect of Support
Autorzy:
Decyk, P.
Więckowski, A.
Najder-Kozdrowska, L.
Bilkova, I.
Ziółek, M.
Powiązania:
https://bibliotekanauki.pl/articles/1030220.pdf
Data publikacji:
2017-07
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
68.43.-h
76.30.-v
76.30.Fc
82.75.Vx
Opis:
A mixture of antiferromagnetic Cu_{1.4}Mn_{1.6}O₄ and Cu_{0.5}Zn_{0.5}Mn₂O₄ or/and ZnMn₂O₄ spinels was prepared. Dealuminated HY zeolite and silica were doped by these Cu-Mn-Zn spinels. The materials were investigated by X-ray diffraction, the Fourier transform infrared spectroscopy and EPR spectroscopy. Additionally, all the samples were tested for their activity for isopropyl alcohol dehydration/dehydrogenation. Three EPR signals were observed for Cu-Mn-Zn/dealuminated HY and Cu-Mn-Zn/SiO₂ samples at 293 K. In contrast to the spectra recorded at 293 K, only one broad line attributed to Cu-Mn-Zn spinels was visible at 77 K. The EPR signal from pure Cu-Mn-Zn spinels consists only of a single broad line when recorded at 293 K, whereas at 77 K the line is narrower. For all samples subjected to evacuation at high vacuum up to 573 K, the Cu-Mn-Zn spinels were stable. The evacuation at 673 K resulted in a rapid lowering of the intensity of EPR spectrum.
Źródło:
Acta Physica Polonica A; 2017, 132, 1; 38-44
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Magnetic Study of Phases in FeVO₄-Co₃V₂O₈ System
Autorzy:
Guskos, N.
Zolnierkiewicz, G.
Pilarska, M.
Typek, J.
Blonska-Tabero, A.
Aidinis, C.
Powiązania:
https://bibliotekanauki.pl/articles/1030217.pdf
Data publikacji:
2017-07
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
75.40.Cx
75.50.Ee
76.30.Fc
Opis:
Magnetic properties of four nFeVO₄/(1-n)Co₃V₂O₈ samples obtained in reactions between FeVO₄ and Co₃V₂O₈ (n = 0.96, 0.86, 0.84 and 0.83, samples designated S1, S3, S4, S5, respectively) have been investigated by DC magnetisation in field cooling and zero-field-cooling modes and EPR. DC magnetic susceptibility showed paramagnetic behavior of all samples in high-temperature range (T > 20 K) and transition to antiferromagnetic state at 16-18 K (depending on sample iron content). Additional magnetic freezing at 8 K was registered for S3-S5 samples containing larger amount of cobalt. The Curie-Weiss law in 100-300 K temperature range indicates that Co²⁺ is in the high-spin state (S = 3/2). From the parameters of the hysteresis loop observed for the samples it was calculated that 0.58% of all magnetic (Fe³⁺, Co²⁺) ions were involved in the ferromagnetic states. EPR spectra of the samples were recorded in high temperature range (T > 90 K). The temperature dependence of the spectral parameters (resonance field, linewidth, integrated intensity) suggested the Fe³⁺ high-spin ions coupled by antiferromagnetic interaction and clusters of ions play major role in EPR spectra.
Źródło:
Acta Physica Polonica A; 2017, 132, 1; 24-30
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Microwave X-Band Resonances in Doped Cd₂Nb₂O₇ Monocrystals
Autorzy:
Waplak, S.
Ostrowski, A.
Wencka, M.
Bednarski, W.
Powiązania:
https://bibliotekanauki.pl/articles/1030214.pdf
Data publikacji:
2017-07
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
76.30.Fc
77.22.Ch
77.80.B-
77.84.Ek
Opis:
Cadmium pyroniobiate (CNO) is the ferroic material with unusual diffuse phase diagram which includes both relaxor and nanocluster domains. We present the data for CNO crystals with several admixtures of paramagnetic ions studied on X and S microwave bands at zero-external magnetic field and classical EPR conditions. Our results lead to an assertion of a ferroelectric resonance effect due to "electronic ferroelectricity". The data fit well to the Falicov-Kimball theoretical model applicable to strongly-correlated-electron or mixed-valence systems.
Źródło:
Acta Physica Polonica A; 2017, 132, 1; 7-11
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Spin Hamiltonian parameters for Co²⁺ ions in PbMoO₄ crystal - interplay between the fictitious spin S=1/2 and the effective spin S̃ =3/2
Autorzy:
Piwowarska, D.
Kaczmarek, S.
Gnutek, P.
Rudowicz, C.
Powiązania:
https://bibliotekanauki.pl/articles/1055009.pdf
Data publikacji:
2017-07
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
75.10.Dg
71.70.Ch
61.50.Ah
61.72.Hh
76.30.-v
76.30.Fc
Opis:
The interplay between the fictitious spin S' = 1/2 and the effective spin S̃=3/2 for Co²⁺(3d⁷) ions is considered. The available experimental data on the Ze g_{i}' factors for the two Co²⁺ complexes in PbMoO₄ obtained using the fictitious "spin" S'=1/2 description serve for determination of the Zeeman g_{i} factors corresponding to the effective spin S̃ =3/2. The second-rank zero-field splitting parameters D and E (S̃ = 3/2) are also indirectly determined from the experimental EMR data by employing the formulas arising from projection of the g_{i}(S̃=3/2) factors onto the g_{i}'(S' = 1/2) factors. The so-determined second-rank zero-field splitting parameters and g_{i}(S̃ = 3/2) factors will enable comparison with the respective quantities obtained in a subsequent paper using a combined modeling approach.
Źródło:
Acta Physica Polonica A; 2017, 132, 1; 73-76
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
A unified calculation of the optical and EPR spectral data for the trigonal Cr³⁺ center in Cr³⁺-doped α-RbAl(SO₄)₂·12H₂O alum crystal
Autorzy:
Li, Xiao-Wu
Mei, Yang
Wei, Cheng-Fu
Zheng, Wen-Chen
Powiązania:
https://bibliotekanauki.pl/articles/1070555.pdf
Data publikacji:
2016-03
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
71.70.Ch
76.30.Fc
78.40.Ha
78.55.Hx
Opis:
The optical band positions and the spin-Hamiltonian parameters (g factors g_{∥}, g_{⊥}, and zero-field splitting parameter D) of alum α-RbAl(SO₄)₂·12H₂O:Cr³⁺ are calculated by diagonalizing the 120× 120 complete energy matrix based on the two-spin-orbit-coupling-parameter model. The model takes into account not only the contributions due to the spin-orbit-coupling parameter of central d^{n} ion in the conventional crystal field theory, but also those due to ligands via covalence effect. The calculation indicates that the fourteen observed spectral data (eleven optical band positions and three spin-Hamiltonian parameters) can be reasonably and uniformly explained with four adjustable parameters (the Racah parameters B, C, intrinsic parameter A̅₄(R) in the superposition model, and the trigonal distortion angle β). The calculations also suggest that contrary to the previous findings, the trigonal distortion of Cr³⁺ (entering the Al³⁺ site in the host crystal) center in α-RbAl(SO₄)₂·12H₂O is induced mainly by the oxygen (or water) octahedron around the Cr³⁺ ion rather than the more distant neighbors.
Źródło:
Acta Physica Polonica A; 2016, 129, 3; 340-343
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Theoretical Studies on the Local Structure and Spin Hamiltonian Parameters for Single Cu²⁺ Ion in BaF₂
Autorzy:
Lin, J.
Xiao, P.
Zhao, Y.
Zhang, B.
Yang, Y.
Powiązania:
https://bibliotekanauki.pl/articles/1398965.pdf
Data publikacji:
2016-06
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
75.10.Dg
76.30.Fc
Opis:
The spin Hamiltonian parameters (g-factors and the hyperfine structure constants) and local structure are theoretically studied for single Cu²⁺ ion in BaF₂ from the high-order perturbation formulae of these parameters for 3d⁹ ions in tetragonally elongated octahedra. In the calculations, the ligand orbital and spin-orbit coupling of the impurity Cu²⁺ are taken into account, based on the cluster approach. Due to the Jahn-Teller effect and size mismatching substitution, the impurity Cu²⁺ is found to be located at a distance of about 0.2 Å from the nearest fluorine plane. The signs of the hyperfine structure constants $A_∥ $ and $ A_⊥ $ are suggested. The theoretical spin Hamiltonian parameters based on the above local structure are in good agreement with the observed values.
Źródło:
Acta Physica Polonica A; 2016, 129, 6; 1173-1177
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Complete Diagonalization Calculation of the Optical and EPR Data for the Tetragonal $Cu^{2+}$ Center in $Cu^{2+}$-Doped ZnSe Nanocrystals
Autorzy:
Wu, Xiao-Xuan
Zheng, Wen-Chen
Powiązania:
https://bibliotekanauki.pl/articles/1399131.pdf
Data publikacji:
2015-03
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
76.30.Fc
71.70.Ch
78.40.Fy
75.10.Dg
Opis:
By using the complete diagonalization (of energy matrix) method based on the cluster approach (where the admixture between the d orbitals of $d^{n}$ ion and p orbitals of ligands due to covalence effect is considered), the optical and electron paramagnetic resonance data (three optical band positions and four EPR parameters $g_{∥}$, $g_{⊥}$, $A_{∥}$, $A_{⊥}$) are calculated for the tetragonal $Cu^{2+}$ center in $Cu^{2+}$-doped poly vinyl alcohol (PVA) passivated ZnSe nanocrystals with the defect model of $Cu^{2+}$ in the interstitial octahedral site in ZnSe. The calculated results are near the experimental values. The tetragonal elongation of the $Cu^{2+}$ octahedral cluster in ZnSe nanocrystals is obtained. The results are discussed.
Źródło:
Acta Physica Polonica A; 2015, 127, 3; 795-798
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Investigations on the Spin-Hamiltonian Parameters and Local Structure of the Orthorhombic $Cu^{2+}$ Center in $PbTiO_3$ Crystal
Autorzy:
Chao-Ying, Li
Li-Bin, Cheng
Xue-Mei, Zheng
Powiązania:
https://bibliotekanauki.pl/articles/1400511.pdf
Data publikacji:
2015-06
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
76.30.Fc
75.10.Dg
71.70.Ch
Opis:
The spin-Hamiltonian parameters (the g factors $g_{i}$ and the hyperfine structure constants $A_{i}$, i = x, y, z) and local structure of the $Cu^{2+}$ center in $PbTiO_{3}$ are theoretically studied by using the perturbation formulae of these parameters for a $3d^{9}$ ion in an orthorhombically elongated octahedra. The orthorhombic center is attributed to $Cu^{2+}$ occupying the host $Ti^{4+}$ site associated with a nearest-neighbouring oxygen vacancy $V_{O}$ along the c-axis, and the impurity $Cu^{2+}$ off-center displacement $\Delta Z_{L}$ ( ≈0.18 Å) is smaller than that of the host $Ti^{4+}$ site ($\Delta Z_{H}$≈ 0.3 Å). Meanwhile, the planar $Cu^{2+}-O^{2-}$ bonds are found to experience the relative variation ΔR ( ≈ 0.098 Å) along the a- and b-axes, respectively, due to the Jahn-Teller effect and the size mismatching substitution of $Ti^{4+}$ by $Cu^{2+}$. The theoretical spin-Hamiltonian parameters based on the above defect structure agree well with the observed values.
Źródło:
Acta Physica Polonica A; 2015, 127, 6; 1671-1675
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Really First Principles Calculations for CoF₃
Autorzy:
Radwanski, R.
Nalecz, D.
Krupska, M.
Piwowarczyk, T.
Ropka, Z.
Powiązania:
https://bibliotekanauki.pl/articles/1385724.pdf
Data publikacji:
2015-02
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
76.30.Fc
75.10.Dg
Opis:
We have derived the low-energy electronic structure of CoF₃, originating from the strongly-correlated 3d⁶ system of the Co³⁺ ion, taking into account the crystal-field interactions, with a relatively weak trigonal distortion, and the relativistic spin-orbit interaction. We have calculated from really first-principles the relevant crystal-field interactions. With the discrete electronic structure for 3d electrons we have described the magnetic properties (the value of the magnetic moment and its direction). The moment direction is determined by the local off-octahedral trigonal distortion proving the single-ion origin of the magnetocrystalline anisotropy. We evaluated the orbital moment and the strength of spin interactions responsible for the formation of the magnetic state. Our studies indicate that calculations of the electronic structure of a 3d compound for the physically-adequate description of the magnetic properties has to be performed at the meV scale.
Źródło:
Acta Physica Polonica A; 2015, 127, 2; 391-393
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Implications of Invalid Conversions between Crystal-Field Parameters and Zero-Field Splitting Ones Used in Superposition Model
Autorzy:
Rudowicz, C.
Karbowiak, M.
Powiązania:
https://bibliotekanauki.pl/articles/1365340.pdf
Data publikacji:
2014-05
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
76.30.-v
76.30.Fc
71.70.Ch
75.10.Dg
Opis:
The methodology used in recent study of the zero-field splitting parameters of $Cr^{3+}$ ions at various orthorhombic symmetry sites in $LiKSO_4$ by Pandey and Kripal is critically commented on. We argue that the crystal field parameters, $B_{kq}$, in the Wybourne notation, which were calculated using the superposition model for $Cr^{3+}$ ions in $LiKSO_4$, may only be converted into the crystal field parameters in the Stevens notation. Regrettably, the authors have also converted the latter parameters supposedly into the zero-field splitting parameters D and E in the conventional notation. Such direct conversions are fundamentally incorrect and constitute factual invalid usage of the conversion relations between the crystal field (ligand field) parameters and the zero-field splitting ones. The cases of an implied usage of the invalid conversion relations between the crystal field parameters and the zero-field splitting parameters occurring in recent literature are also outlined. Pandey and Kripal have found the zero-field splitting parameters theoretically evaluated in this way to be in good agreement with the experimental values. However, the faulty methodology renders the conclusion that $Cr^{3+}$ ions enter into the $LiKSO_4$ lattice at the substitutional $K^{+}$ sites unjustified. Several other conceptual problems arising from misinterpretations of the crucial notions identified therein are also discussed and clarified.
Źródło:
Acta Physica Polonica A; 2014, 125, 5; 1215-1219
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Investigations of the Optical Band Positions and Spin-Hamiltonian Parameters for the Rhombic $VO^{2+}$ Complex in CsCl Crystal
Autorzy:
Fang, W.
Zheng, W.
Yang, D.
Tang, H.
Powiązania:
https://bibliotekanauki.pl/articles/1365269.pdf
Data publikacji:
2014-05
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
71.70.Ch
75.10.Dg
61.72.Bb
76.30.Fc
Opis:
The optical band positions and spin-Hamiltonian parameters (g factors $g_{i}$ and hyperfine structure constants $A_{i}$, where i=x, y, z) of the rhombic $VO^{2+}$ complex in CsCl crystal are calculated together from two theoretical methods. One is the complete diagonalization (of energy matrix) method and another is the perturbation theory method. The calculated results from the two methods coincide and are in reasonable agreement with the experimental values. So, both methods are effective in the explanations of optical and electron paramagnetic resonance (EPR) data for $d^1$ ions in crystals. The calculations also suggest that in $d^1$ rhombic octahedra the ground state is almost a pure | $d_{xy}$ ⟩ state. This point is different from that of conjugate $d^9$ (e.g., $Cu^{2+}$) ions in rhombic octahedra where the ground state should be an admixture of ground and first excited states.
Źródło:
Acta Physica Polonica A; 2014, 125, 5; 1206-1209
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Investigations on the EPR Parameters of $KMgF_3$:$Cr^{+}$
Autorzy:
Kuang, M.
Wu, S.
Hu, X.
Li, G.
Zu, H.
Powiązania:
https://bibliotekanauki.pl/articles/1365348.pdf
Data publikacji:
2014-05
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
75.10.Dg
76.30.Fc
Opis:
The electron paramagnetic resonance parameters (i.e., g factor, hyperfine structure constant and superhyperfine parameters) of $KMgF_3$:$Cr^{+}$ are theoretically investigated from the perturbation formulae of these parameters for an octahedral $3 d^5$ cluster. As for the calculations of g factor and hyperfine structure constant, both the contributions from the crystal-field and charge transfer mechanisms are included based on the cluster approach. The metal to ligand charge transfer contribution to the g-shift Δg ( ≈ g-2.0023) is the same (negative) in sign and much larger in magnitude as compared to the crystal-field one. The conventional argument that the charge transfer contributions to zero-field splittings are negligible for $3 d^5$ ions in fluorides is no longer suitable for Δg analysis of $KMgF_3$:$Cr^{+}$ due to the dominant second-order charge transfer perturbation term. The charge transfer contribution to hyperfine structure constant exhibits the same sign and about 4% of the crystal-field one. The unpaired spin densities of the fluorine 2s, 2pσ and 2pπ orbitals are quantitatively acquired from the relationships with the relevant molecular orbital coefficients using the uniform model. The present treatments are superior to the previous calculations of directly fitting the experimental superhyperfine parameters.
Źródło:
Acta Physica Polonica A; 2014, 125, 5; 1224-1228
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Wyświetlanie 1-15 z 76

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