High-Temperature and High-Pressure Study of Electronic and Thermal Properties of PbTaO3 and SnAlO3 M...
High-Temperature and High-Pressure Study of Electronic and Thermal Properties of PbTaO3 and SnAlO3 Metal Perovskites by Density Functional Theory Calculations
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Publisher
New York: Springer US
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Language
English
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New York: Springer US
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Contents
First principles calculations on the thermodynamic properties of PbTaO
3
and SnAlO
3
in a temperature range from 0 K to 800 K and pressure range from 0 GPa to 30 GPa have been carried out within the framework of density functional theory (DFT). The band structures of these oxides at different pressures display an increase in metallic ch...
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Full title
High-Temperature and High-Pressure Study of Electronic and Thermal Properties of PbTaO3 and SnAlO3 Metal Perovskites by Density Functional Theory Calculations
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TN_cdi_proquest_journals_1979948167
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_journals_1979948167
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ISSN
0361-5235
E-ISSN
1543-186X
DOI
10.1007/s11664-017-5785-1
