Statistical mechanics of cation ordering in $ PbSc_{1/2} $$ Ta_{1/2} $$ O_{3} $ and $ PbSc_{1/2} $$ Nb_{1/2} $$ O_{3} $ solid solutions
Abstract A model Hamiltonian for B cation ordering (Sc-Nb(Ta)) in $ PbSc_{1/2} $$ Nb_{1/2} $$ O_{3} $ and $ PbSc_{1/2} $$ Ta_{1/2} $$ O_{3} $ solid solutions is constructed. The parameters of the model Hamiltonian are determined from the ab initio calculation within the ionic crystal model with allo...
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| Autor*in: |
Zinenko, V. I. [verfasserIn] |
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| Format: |
Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2005 |
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| Anmerkung: |
© Pleiades Publishing, Inc. 2005 |
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| Übergeordnetes Werk: |
Enthalten in: Physics of the solid state - Nauka/Interperiodica, 1993, 47(2005), 12 vom: Dez., Seite 2309-2314 |
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| Übergeordnetes Werk: |
volume:47 ; year:2005 ; number:12 ; month:12 ; pages:2309-2314 |
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| DOI / URN: |
10.1134/1.2142896 |
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| 245 | 1 | 0 | |a Statistical mechanics of cation ordering in $ PbSc_{1/2} $$ Ta_{1/2} $$ O_{3} $ and $ PbSc_{1/2} $$ Nb_{1/2} $$ O_{3} $ solid solutions |
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| 520 | |a Abstract A model Hamiltonian for B cation ordering (Sc-Nb(Ta)) in $ PbSc_{1/2} $$ Nb_{1/2} $$ O_{3} $ and $ PbSc_{1/2} $$ Ta_{1/2} $$ O_{3} $ solid solutions is constructed. The parameters of the model Hamiltonian are determined from the ab initio calculation within the ionic crystal model with allowance made for the deformability and the dipole and quadrupole polarizabilities of the ions. The temperatures of the phase transition due to the ordering of the B cations are calculated by the Monte Carlo method in the mean-field and cluster approximations. The phase transition temperatures calculated by the Monte Carlo method (1920 K for $ PbSc_{1/2} $$ Ta_{1/2} $$ O_{3} $ and 1810 K for $ PbSc_{1/2} $$ Nb_{1/2} $$ O_{3} $) are consistent with the experimental data (1770 and 1450 K, respectively). The thermodynamic properties of the cation ordering are investigated using the Monte Carlo method. | ||
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| 700 | 1 | |a Sofronova, S. N. |4 aut | |
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10.1134/1.2142896 doi (DE-627)OLC204070499X (DE-He213)1.2142896-p DE-627 ger DE-627 rakwb eng 530 VZ Zinenko, V. I. verfasserin aut Statistical mechanics of cation ordering in $ PbSc_{1/2} $$ Ta_{1/2} $$ O_{3} $ and $ PbSc_{1/2} $$ Nb_{1/2} $$ O_{3} $ solid solutions 2005 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Pleiades Publishing, Inc. 2005 Abstract A model Hamiltonian for B cation ordering (Sc-Nb(Ta)) in $ PbSc_{1/2} $$ Nb_{1/2} $$ O_{3} $ and $ PbSc_{1/2} $$ Ta_{1/2} $$ O_{3} $ solid solutions is constructed. The parameters of the model Hamiltonian are determined from the ab initio calculation within the ionic crystal model with allowance made for the deformability and the dipole and quadrupole polarizabilities of the ions. The temperatures of the phase transition due to the ordering of the B cations are calculated by the Monte Carlo method in the mean-field and cluster approximations. The phase transition temperatures calculated by the Monte Carlo method (1920 K for $ PbSc_{1/2} $$ Ta_{1/2} $$ O_{3} $ and 1810 K for $ PbSc_{1/2} $$ Nb_{1/2} $$ O_{3} $) are consistent with the experimental data (1770 and 1450 K, respectively). The thermodynamic properties of the cation ordering are investigated using the Monte Carlo method. Spectroscopy Experimental Data Phase Transition State Physics Solid Solution Sofronova, S. N. aut Enthalten in Physics of the solid state Nauka/Interperiodica, 1993 47(2005), 12 vom: Dez., Seite 2309-2314 (DE-627)16567332X (DE-600)1159011-7 (DE-576)038490706 1063-7834 nnns volume:47 year:2005 number:12 month:12 pages:2309-2314 https://doi.org/10.1134/1.2142896 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY GBV_ILN_40 GBV_ILN_70 GBV_ILN_4700 AR 47 2005 12 12 2309-2314 |
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10.1134/1.2142896 doi (DE-627)OLC204070499X (DE-He213)1.2142896-p DE-627 ger DE-627 rakwb eng 530 VZ Zinenko, V. I. verfasserin aut Statistical mechanics of cation ordering in $ PbSc_{1/2} $$ Ta_{1/2} $$ O_{3} $ and $ PbSc_{1/2} $$ Nb_{1/2} $$ O_{3} $ solid solutions 2005 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Pleiades Publishing, Inc. 2005 Abstract A model Hamiltonian for B cation ordering (Sc-Nb(Ta)) in $ PbSc_{1/2} $$ Nb_{1/2} $$ O_{3} $ and $ PbSc_{1/2} $$ Ta_{1/2} $$ O_{3} $ solid solutions is constructed. The parameters of the model Hamiltonian are determined from the ab initio calculation within the ionic crystal model with allowance made for the deformability and the dipole and quadrupole polarizabilities of the ions. The temperatures of the phase transition due to the ordering of the B cations are calculated by the Monte Carlo method in the mean-field and cluster approximations. The phase transition temperatures calculated by the Monte Carlo method (1920 K for $ PbSc_{1/2} $$ Ta_{1/2} $$ O_{3} $ and 1810 K for $ PbSc_{1/2} $$ Nb_{1/2} $$ O_{3} $) are consistent with the experimental data (1770 and 1450 K, respectively). The thermodynamic properties of the cation ordering are investigated using the Monte Carlo method. Spectroscopy Experimental Data Phase Transition State Physics Solid Solution Sofronova, S. N. aut Enthalten in Physics of the solid state Nauka/Interperiodica, 1993 47(2005), 12 vom: Dez., Seite 2309-2314 (DE-627)16567332X (DE-600)1159011-7 (DE-576)038490706 1063-7834 nnns volume:47 year:2005 number:12 month:12 pages:2309-2314 https://doi.org/10.1134/1.2142896 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY GBV_ILN_40 GBV_ILN_70 GBV_ILN_4700 AR 47 2005 12 12 2309-2314 |
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10.1134/1.2142896 doi (DE-627)OLC204070499X (DE-He213)1.2142896-p DE-627 ger DE-627 rakwb eng 530 VZ Zinenko, V. I. verfasserin aut Statistical mechanics of cation ordering in $ PbSc_{1/2} $$ Ta_{1/2} $$ O_{3} $ and $ PbSc_{1/2} $$ Nb_{1/2} $$ O_{3} $ solid solutions 2005 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Pleiades Publishing, Inc. 2005 Abstract A model Hamiltonian for B cation ordering (Sc-Nb(Ta)) in $ PbSc_{1/2} $$ Nb_{1/2} $$ O_{3} $ and $ PbSc_{1/2} $$ Ta_{1/2} $$ O_{3} $ solid solutions is constructed. The parameters of the model Hamiltonian are determined from the ab initio calculation within the ionic crystal model with allowance made for the deformability and the dipole and quadrupole polarizabilities of the ions. The temperatures of the phase transition due to the ordering of the B cations are calculated by the Monte Carlo method in the mean-field and cluster approximations. The phase transition temperatures calculated by the Monte Carlo method (1920 K for $ PbSc_{1/2} $$ Ta_{1/2} $$ O_{3} $ and 1810 K for $ PbSc_{1/2} $$ Nb_{1/2} $$ O_{3} $) are consistent with the experimental data (1770 and 1450 K, respectively). The thermodynamic properties of the cation ordering are investigated using the Monte Carlo method. Spectroscopy Experimental Data Phase Transition State Physics Solid Solution Sofronova, S. N. aut Enthalten in Physics of the solid state Nauka/Interperiodica, 1993 47(2005), 12 vom: Dez., Seite 2309-2314 (DE-627)16567332X (DE-600)1159011-7 (DE-576)038490706 1063-7834 nnns volume:47 year:2005 number:12 month:12 pages:2309-2314 https://doi.org/10.1134/1.2142896 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY GBV_ILN_40 GBV_ILN_70 GBV_ILN_4700 AR 47 2005 12 12 2309-2314 |
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10.1134/1.2142896 doi (DE-627)OLC204070499X (DE-He213)1.2142896-p DE-627 ger DE-627 rakwb eng 530 VZ Zinenko, V. I. verfasserin aut Statistical mechanics of cation ordering in $ PbSc_{1/2} $$ Ta_{1/2} $$ O_{3} $ and $ PbSc_{1/2} $$ Nb_{1/2} $$ O_{3} $ solid solutions 2005 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Pleiades Publishing, Inc. 2005 Abstract A model Hamiltonian for B cation ordering (Sc-Nb(Ta)) in $ PbSc_{1/2} $$ Nb_{1/2} $$ O_{3} $ and $ PbSc_{1/2} $$ Ta_{1/2} $$ O_{3} $ solid solutions is constructed. The parameters of the model Hamiltonian are determined from the ab initio calculation within the ionic crystal model with allowance made for the deformability and the dipole and quadrupole polarizabilities of the ions. The temperatures of the phase transition due to the ordering of the B cations are calculated by the Monte Carlo method in the mean-field and cluster approximations. The phase transition temperatures calculated by the Monte Carlo method (1920 K for $ PbSc_{1/2} $$ Ta_{1/2} $$ O_{3} $ and 1810 K for $ PbSc_{1/2} $$ Nb_{1/2} $$ O_{3} $) are consistent with the experimental data (1770 and 1450 K, respectively). The thermodynamic properties of the cation ordering are investigated using the Monte Carlo method. Spectroscopy Experimental Data Phase Transition State Physics Solid Solution Sofronova, S. N. aut Enthalten in Physics of the solid state Nauka/Interperiodica, 1993 47(2005), 12 vom: Dez., Seite 2309-2314 (DE-627)16567332X (DE-600)1159011-7 (DE-576)038490706 1063-7834 nnns volume:47 year:2005 number:12 month:12 pages:2309-2314 https://doi.org/10.1134/1.2142896 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY GBV_ILN_40 GBV_ILN_70 GBV_ILN_4700 AR 47 2005 12 12 2309-2314 |
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10.1134/1.2142896 doi (DE-627)OLC204070499X (DE-He213)1.2142896-p DE-627 ger DE-627 rakwb eng 530 VZ Zinenko, V. I. verfasserin aut Statistical mechanics of cation ordering in $ PbSc_{1/2} $$ Ta_{1/2} $$ O_{3} $ and $ PbSc_{1/2} $$ Nb_{1/2} $$ O_{3} $ solid solutions 2005 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Pleiades Publishing, Inc. 2005 Abstract A model Hamiltonian for B cation ordering (Sc-Nb(Ta)) in $ PbSc_{1/2} $$ Nb_{1/2} $$ O_{3} $ and $ PbSc_{1/2} $$ Ta_{1/2} $$ O_{3} $ solid solutions is constructed. The parameters of the model Hamiltonian are determined from the ab initio calculation within the ionic crystal model with allowance made for the deformability and the dipole and quadrupole polarizabilities of the ions. The temperatures of the phase transition due to the ordering of the B cations are calculated by the Monte Carlo method in the mean-field and cluster approximations. The phase transition temperatures calculated by the Monte Carlo method (1920 K for $ PbSc_{1/2} $$ Ta_{1/2} $$ O_{3} $ and 1810 K for $ PbSc_{1/2} $$ Nb_{1/2} $$ O_{3} $) are consistent with the experimental data (1770 and 1450 K, respectively). The thermodynamic properties of the cation ordering are investigated using the Monte Carlo method. Spectroscopy Experimental Data Phase Transition State Physics Solid Solution Sofronova, S. N. aut Enthalten in Physics of the solid state Nauka/Interperiodica, 1993 47(2005), 12 vom: Dez., Seite 2309-2314 (DE-627)16567332X (DE-600)1159011-7 (DE-576)038490706 1063-7834 nnns volume:47 year:2005 number:12 month:12 pages:2309-2314 https://doi.org/10.1134/1.2142896 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY GBV_ILN_40 GBV_ILN_70 GBV_ILN_4700 AR 47 2005 12 12 2309-2314 |
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statistical mechanics of cation ordering in $ pbsc_{1/2} $$ ta_{1/2} $$ o_{3} $ and $ pbsc_{1/2} $$ nb_{1/2} $$ o_{3} $ solid solutions |
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Statistical mechanics of cation ordering in $ PbSc_{1/2} $$ Ta_{1/2} $$ O_{3} $ and $ PbSc_{1/2} $$ Nb_{1/2} $$ O_{3} $ solid solutions |
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Abstract A model Hamiltonian for B cation ordering (Sc-Nb(Ta)) in $ PbSc_{1/2} $$ Nb_{1/2} $$ O_{3} $ and $ PbSc_{1/2} $$ Ta_{1/2} $$ O_{3} $ solid solutions is constructed. The parameters of the model Hamiltonian are determined from the ab initio calculation within the ionic crystal model with allowance made for the deformability and the dipole and quadrupole polarizabilities of the ions. The temperatures of the phase transition due to the ordering of the B cations are calculated by the Monte Carlo method in the mean-field and cluster approximations. The phase transition temperatures calculated by the Monte Carlo method (1920 K for $ PbSc_{1/2} $$ Ta_{1/2} $$ O_{3} $ and 1810 K for $ PbSc_{1/2} $$ Nb_{1/2} $$ O_{3} $) are consistent with the experimental data (1770 and 1450 K, respectively). The thermodynamic properties of the cation ordering are investigated using the Monte Carlo method. © Pleiades Publishing, Inc. 2005 |
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Abstract A model Hamiltonian for B cation ordering (Sc-Nb(Ta)) in $ PbSc_{1/2} $$ Nb_{1/2} $$ O_{3} $ and $ PbSc_{1/2} $$ Ta_{1/2} $$ O_{3} $ solid solutions is constructed. The parameters of the model Hamiltonian are determined from the ab initio calculation within the ionic crystal model with allowance made for the deformability and the dipole and quadrupole polarizabilities of the ions. The temperatures of the phase transition due to the ordering of the B cations are calculated by the Monte Carlo method in the mean-field and cluster approximations. The phase transition temperatures calculated by the Monte Carlo method (1920 K for $ PbSc_{1/2} $$ Ta_{1/2} $$ O_{3} $ and 1810 K for $ PbSc_{1/2} $$ Nb_{1/2} $$ O_{3} $) are consistent with the experimental data (1770 and 1450 K, respectively). The thermodynamic properties of the cation ordering are investigated using the Monte Carlo method. © Pleiades Publishing, Inc. 2005 |
| abstract_unstemmed |
Abstract A model Hamiltonian for B cation ordering (Sc-Nb(Ta)) in $ PbSc_{1/2} $$ Nb_{1/2} $$ O_{3} $ and $ PbSc_{1/2} $$ Ta_{1/2} $$ O_{3} $ solid solutions is constructed. The parameters of the model Hamiltonian are determined from the ab initio calculation within the ionic crystal model with allowance made for the deformability and the dipole and quadrupole polarizabilities of the ions. The temperatures of the phase transition due to the ordering of the B cations are calculated by the Monte Carlo method in the mean-field and cluster approximations. The phase transition temperatures calculated by the Monte Carlo method (1920 K for $ PbSc_{1/2} $$ Ta_{1/2} $$ O_{3} $ and 1810 K for $ PbSc_{1/2} $$ Nb_{1/2} $$ O_{3} $) are consistent with the experimental data (1770 and 1450 K, respectively). The thermodynamic properties of the cation ordering are investigated using the Monte Carlo method. © Pleiades Publishing, Inc. 2005 |
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Statistical mechanics of cation ordering in $ PbSc_{1/2} $$ Ta_{1/2} $$ O_{3} $ and $ PbSc_{1/2} $$ Nb_{1/2} $$ O_{3} $ solid solutions |
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https://doi.org/10.1134/1.2142896 |
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Sofronova, S. N. |
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