Microscopic calculations of displacive (Elpasolite family) and order-disorder (Potassium selenate family) structural phase transitions
Abstract The critical temperatures and thermodynamic characteristics for the displacive phase transition Oh7 → O4h5 in crystals of the elpasolite family $ Rb_{2} $KB$ F_{6} $ (B = Sc, In, Lu) and for the successive phase transitions O6h4 → D2h16 → I → C2h/5 (I is the incommensurate phase) in crystal...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Zinenko, V. I. [verfasserIn] |
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| Format: |
Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2004 |
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| Schlagwörter: |
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| Anmerkung: |
© MAIK "Nauka/Interperiodica" 2004 |
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| Übergeordnetes Werk: |
Enthalten in: Crystallography reports - Nauka/Interperiodica, 1993, 49(2004), 1 vom: Jan., Seite 29-39 |
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| Übergeordnetes Werk: |
volume:49 ; year:2004 ; number:1 ; month:01 ; pages:29-39 |
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| DOI / URN: |
10.1134/1.1643961 |
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| 520 | |a Abstract The critical temperatures and thermodynamic characteristics for the displacive phase transition Oh7 → O4h5 in crystals of the elpasolite family $ Rb_{2} $KB$ F_{6} $ (B = Sc, In, Lu) and for the successive phase transitions O6h4 → D2h16 → I → C2h/5 (I is the incommensurate phase) in crystals of the selenate potassium family have been calculated. The calculations were carried out using the effective Hamiltonian method. The Hamiltonian parameters for the elpasolite-like crystals were determined from ab initio calculations, and those for the crystals of the selenate potassium family were found using a small number of fitting parameters. | ||
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10.1134/1.1643961 doi (DE-627)OLC2070244687 (DE-He213)1.1643961-p DE-627 ger DE-627 rakwb eng 540 530 VZ Zinenko, V. I. verfasserin aut Microscopic calculations of displacive (Elpasolite family) and order-disorder (Potassium selenate family) structural phase transitions 2004 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © MAIK "Nauka/Interperiodica" 2004 Abstract The critical temperatures and thermodynamic characteristics for the displacive phase transition Oh7 → O4h5 in crystals of the elpasolite family $ Rb_{2} $KB$ F_{6} $ (B = Sc, In, Lu) and for the successive phase transitions O6h4 → D2h16 → I → C2h/5 (I is the incommensurate phase) in crystals of the selenate potassium family have been calculated. The calculations were carried out using the effective Hamiltonian method. The Hamiltonian parameters for the elpasolite-like crystals were determined from ab initio calculations, and those for the crystals of the selenate potassium family were found using a small number of fitting parameters. Potassium Phase Transition Selenate Critical Temperature Structural Phase Zamkova, N. G. aut Enthalten in Crystallography reports Nauka/Interperiodica, 1993 49(2004), 1 vom: Jan., Seite 29-39 (DE-627)171187822 (DE-600)1162973-3 (DE-576)038500337 1063-7745 nnns volume:49 year:2004 number:1 month:01 pages:29-39 https://doi.org/10.1134/1.1643961 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-TEC SSG-OLC-PHY SSG-OLC-CHE SSG-OLC-GEO SSG-OPC-GGO GBV_ILN_21 GBV_ILN_22 GBV_ILN_30 GBV_ILN_40 GBV_ILN_70 AR 49 2004 1 01 29-39 |
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10.1134/1.1643961 doi (DE-627)OLC2070244687 (DE-He213)1.1643961-p DE-627 ger DE-627 rakwb eng 540 530 VZ Zinenko, V. I. verfasserin aut Microscopic calculations of displacive (Elpasolite family) and order-disorder (Potassium selenate family) structural phase transitions 2004 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © MAIK "Nauka/Interperiodica" 2004 Abstract The critical temperatures and thermodynamic characteristics for the displacive phase transition Oh7 → O4h5 in crystals of the elpasolite family $ Rb_{2} $KB$ F_{6} $ (B = Sc, In, Lu) and for the successive phase transitions O6h4 → D2h16 → I → C2h/5 (I is the incommensurate phase) in crystals of the selenate potassium family have been calculated. The calculations were carried out using the effective Hamiltonian method. The Hamiltonian parameters for the elpasolite-like crystals were determined from ab initio calculations, and those for the crystals of the selenate potassium family were found using a small number of fitting parameters. Potassium Phase Transition Selenate Critical Temperature Structural Phase Zamkova, N. G. aut Enthalten in Crystallography reports Nauka/Interperiodica, 1993 49(2004), 1 vom: Jan., Seite 29-39 (DE-627)171187822 (DE-600)1162973-3 (DE-576)038500337 1063-7745 nnns volume:49 year:2004 number:1 month:01 pages:29-39 https://doi.org/10.1134/1.1643961 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-TEC SSG-OLC-PHY SSG-OLC-CHE SSG-OLC-GEO SSG-OPC-GGO GBV_ILN_21 GBV_ILN_22 GBV_ILN_30 GBV_ILN_40 GBV_ILN_70 AR 49 2004 1 01 29-39 |
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10.1134/1.1643961 doi (DE-627)OLC2070244687 (DE-He213)1.1643961-p DE-627 ger DE-627 rakwb eng 540 530 VZ Zinenko, V. I. verfasserin aut Microscopic calculations of displacive (Elpasolite family) and order-disorder (Potassium selenate family) structural phase transitions 2004 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © MAIK "Nauka/Interperiodica" 2004 Abstract The critical temperatures and thermodynamic characteristics for the displacive phase transition Oh7 → O4h5 in crystals of the elpasolite family $ Rb_{2} $KB$ F_{6} $ (B = Sc, In, Lu) and for the successive phase transitions O6h4 → D2h16 → I → C2h/5 (I is the incommensurate phase) in crystals of the selenate potassium family have been calculated. The calculations were carried out using the effective Hamiltonian method. The Hamiltonian parameters for the elpasolite-like crystals were determined from ab initio calculations, and those for the crystals of the selenate potassium family were found using a small number of fitting parameters. Potassium Phase Transition Selenate Critical Temperature Structural Phase Zamkova, N. G. aut Enthalten in Crystallography reports Nauka/Interperiodica, 1993 49(2004), 1 vom: Jan., Seite 29-39 (DE-627)171187822 (DE-600)1162973-3 (DE-576)038500337 1063-7745 nnns volume:49 year:2004 number:1 month:01 pages:29-39 https://doi.org/10.1134/1.1643961 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-TEC SSG-OLC-PHY SSG-OLC-CHE SSG-OLC-GEO SSG-OPC-GGO GBV_ILN_21 GBV_ILN_22 GBV_ILN_30 GBV_ILN_40 GBV_ILN_70 AR 49 2004 1 01 29-39 |
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10.1134/1.1643961 doi (DE-627)OLC2070244687 (DE-He213)1.1643961-p DE-627 ger DE-627 rakwb eng 540 530 VZ Zinenko, V. I. verfasserin aut Microscopic calculations of displacive (Elpasolite family) and order-disorder (Potassium selenate family) structural phase transitions 2004 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © MAIK "Nauka/Interperiodica" 2004 Abstract The critical temperatures and thermodynamic characteristics for the displacive phase transition Oh7 → O4h5 in crystals of the elpasolite family $ Rb_{2} $KB$ F_{6} $ (B = Sc, In, Lu) and for the successive phase transitions O6h4 → D2h16 → I → C2h/5 (I is the incommensurate phase) in crystals of the selenate potassium family have been calculated. The calculations were carried out using the effective Hamiltonian method. The Hamiltonian parameters for the elpasolite-like crystals were determined from ab initio calculations, and those for the crystals of the selenate potassium family were found using a small number of fitting parameters. Potassium Phase Transition Selenate Critical Temperature Structural Phase Zamkova, N. G. aut Enthalten in Crystallography reports Nauka/Interperiodica, 1993 49(2004), 1 vom: Jan., Seite 29-39 (DE-627)171187822 (DE-600)1162973-3 (DE-576)038500337 1063-7745 nnns volume:49 year:2004 number:1 month:01 pages:29-39 https://doi.org/10.1134/1.1643961 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-TEC SSG-OLC-PHY SSG-OLC-CHE SSG-OLC-GEO SSG-OPC-GGO GBV_ILN_21 GBV_ILN_22 GBV_ILN_30 GBV_ILN_40 GBV_ILN_70 AR 49 2004 1 01 29-39 |
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10.1134/1.1643961 doi (DE-627)OLC2070244687 (DE-He213)1.1643961-p DE-627 ger DE-627 rakwb eng 540 530 VZ Zinenko, V. I. verfasserin aut Microscopic calculations of displacive (Elpasolite family) and order-disorder (Potassium selenate family) structural phase transitions 2004 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © MAIK "Nauka/Interperiodica" 2004 Abstract The critical temperatures and thermodynamic characteristics for the displacive phase transition Oh7 → O4h5 in crystals of the elpasolite family $ Rb_{2} $KB$ F_{6} $ (B = Sc, In, Lu) and for the successive phase transitions O6h4 → D2h16 → I → C2h/5 (I is the incommensurate phase) in crystals of the selenate potassium family have been calculated. The calculations were carried out using the effective Hamiltonian method. The Hamiltonian parameters for the elpasolite-like crystals were determined from ab initio calculations, and those for the crystals of the selenate potassium family were found using a small number of fitting parameters. Potassium Phase Transition Selenate Critical Temperature Structural Phase Zamkova, N. G. aut Enthalten in Crystallography reports Nauka/Interperiodica, 1993 49(2004), 1 vom: Jan., Seite 29-39 (DE-627)171187822 (DE-600)1162973-3 (DE-576)038500337 1063-7745 nnns volume:49 year:2004 number:1 month:01 pages:29-39 https://doi.org/10.1134/1.1643961 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-TEC SSG-OLC-PHY SSG-OLC-CHE SSG-OLC-GEO SSG-OPC-GGO GBV_ILN_21 GBV_ILN_22 GBV_ILN_30 GBV_ILN_40 GBV_ILN_70 AR 49 2004 1 01 29-39 |
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microscopic calculations of displacive (elpasolite family) and order-disorder (potassium selenate family) structural phase transitions |
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Microscopic calculations of displacive (Elpasolite family) and order-disorder (Potassium selenate family) structural phase transitions |
| abstract |
Abstract The critical temperatures and thermodynamic characteristics for the displacive phase transition Oh7 → O4h5 in crystals of the elpasolite family $ Rb_{2} $KB$ F_{6} $ (B = Sc, In, Lu) and for the successive phase transitions O6h4 → D2h16 → I → C2h/5 (I is the incommensurate phase) in crystals of the selenate potassium family have been calculated. The calculations were carried out using the effective Hamiltonian method. The Hamiltonian parameters for the elpasolite-like crystals were determined from ab initio calculations, and those for the crystals of the selenate potassium family were found using a small number of fitting parameters. © MAIK "Nauka/Interperiodica" 2004 |
| abstractGer |
Abstract The critical temperatures and thermodynamic characteristics for the displacive phase transition Oh7 → O4h5 in crystals of the elpasolite family $ Rb_{2} $KB$ F_{6} $ (B = Sc, In, Lu) and for the successive phase transitions O6h4 → D2h16 → I → C2h/5 (I is the incommensurate phase) in crystals of the selenate potassium family have been calculated. The calculations were carried out using the effective Hamiltonian method. The Hamiltonian parameters for the elpasolite-like crystals were determined from ab initio calculations, and those for the crystals of the selenate potassium family were found using a small number of fitting parameters. © MAIK "Nauka/Interperiodica" 2004 |
| abstract_unstemmed |
Abstract The critical temperatures and thermodynamic characteristics for the displacive phase transition Oh7 → O4h5 in crystals of the elpasolite family $ Rb_{2} $KB$ F_{6} $ (B = Sc, In, Lu) and for the successive phase transitions O6h4 → D2h16 → I → C2h/5 (I is the incommensurate phase) in crystals of the selenate potassium family have been calculated. The calculations were carried out using the effective Hamiltonian method. The Hamiltonian parameters for the elpasolite-like crystals were determined from ab initio calculations, and those for the crystals of the selenate potassium family were found using a small number of fitting parameters. © MAIK "Nauka/Interperiodica" 2004 |
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Microscopic calculations of displacive (Elpasolite family) and order-disorder (Potassium selenate family) structural phase transitions |
| url |
https://doi.org/10.1134/1.1643961 |
| remote_bool |
false |
| author2 |
Zamkova, N. G. |
| author2Str |
Zamkova, N. G. |
| ppnlink |
171187822 |
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n |
| isOA_txt |
false |
| hochschulschrift_bool |
false |
| doi_str |
10.1134/1.1643961 |
| up_date |
2024-07-04T00:42:07.571Z |
| _version_ |
1803607057445683201 |
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I.</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Microscopic calculations of displacive (Elpasolite family) and order-disorder (Potassium selenate family) structural phase transitions</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="c">2004</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="a">Text</subfield><subfield code="b">txt</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="a">ohne Hilfsmittel zu benutzen</subfield><subfield code="b">n</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="a">Band</subfield><subfield code="b">nc</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="500" ind1=" " ind2=" "><subfield code="a">© MAIK "Nauka/Interperiodica" 2004</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">Abstract The critical temperatures and thermodynamic characteristics for the displacive phase transition Oh7 → O4h5 in crystals of the elpasolite family $ Rb_{2} $KB$ F_{6} $ (B = Sc, In, Lu) and for the successive phase transitions O6h4 → D2h16 → I → C2h/5 (I is the incommensurate phase) in crystals of the selenate potassium family have been calculated. 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