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Wyszukujesz frazę "Zheng, Wei" wg kryterium: Autor


Wyświetlanie 1-3 z 3
Tytuł:
Research on the Spin-Hamiltonian Parameters and Local Structure for the Tetragonal $Mo^{5+}$ Centers in $CaWO_{4}$ Crystal
Autorzy:
Mei, Y.
Zheng, W.
Wei, C.
Powiązania:
https://bibliotekanauki.pl/articles/1377649.pdf
Data publikacji:
2014-12
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
76.30.He
71.70.Ch
75.10.Dg
Opis:
The spin-Hamiltonian parameters (g factors $g_{∥}$, $g_{⊥}$ and hyperfine structure constants $A_{∥}(A)$, $A_{⊥}(A)$, $A_{∥}(B)$ and $A_{⊥}(B)$, A(A) and A(B) belonging to isotopes $\text{}^{95}Mo^{5+}$ and $\text{}^{97}Mo^{5+})$ of $Mo^{5+}$ ion at the tetragonally-compressed tetrahedral $W^{6+}$ site in $CaWO_4$ crystal are calculated from the high-order perturbation formulae based on the two-mechanism model, where besides the contributions to spin-Hamiltonian parameters due to the crystal-field mechanism concerning the crystal-field excited states in the extensively-applied crystal-field theory, those due to charge-transfer mechanism concerning charge-transfer excited states (which are omitted in crystal-field theory) are included. The calculated results are in reasonable agreement with the experimental values. The calculations show that for the high-valence state $d^{n}$ ions (e. g., $Mo^{5+}$ considered) in crystals, the contributions due to charge-transfer mechanism should be taken into account in the studies of spin-Hamiltonian parameters. The local structure of $Mo^{5+}$ center in $CaWO_4$ crystal due to the impurity-induced local lattice relaxation is estimated from the calculations. The results are discussed.
Źródło:
Acta Physica Polonica A; 2014, 126, 6; 1275-1279
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:
The elastic anisotropic and thermodynamic properties of I4mm-B₃C
Autorzy:
Fan, Qingyang
Wei, Qun
Chai, Changchun
Yang, Yintang
Yu, Xinhai
Liu, Yang
Zheng, Junping
Zhou, Peikun
Zhang, Dongyun
Powiązania:
https://bibliotekanauki.pl/articles/1075538.pdf
Data publikacji:
2016-01
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
71.15.Mb
65.40.De
62.20.de
Opis:
The structural, elastic anisotropy and thermodynamic properties of the I4mm-B₃C are investigated using first-principles calculations and the quasi-harmonic Debye model. The calculated elastic anisotropic suggest that I4mm-B₃C is elastically anisotropic with its Poisson ratio, shear modulus, the Young modulus, the universal anisotropic index, shear anisotropic factors, and the percentage of elastic anisotropy for bulk modulus and shear modulus. The quasi-harmonic Debye model, using a set of total energy versus molar volume obtained with the first-principles calculations, is applied to the study of the thermal and vibrational effects. The thermal expansions, heat capacities, the Grüneisen parameters and the Debye temperatures dependence on the temperature and pressure are obtained in the whole pressure range from 0 to 90 GPa and temperature range from 0 to 2000 K.
Źródło:
Acta Physica Polonica A; 2016, 129, 1; 103-107
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
    Wyświetlanie 1-3 z 3

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