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Pb1-x Cax TiO3 solid solution (x=0.0, 0.25, 0.50, and 0.75): A theoretical and ...
De Lázaro, Sérgio Ricardo; De Lucena, Poty Rodrigues; Sambrano, Júlio Ricardo [UNESP]; Pizani, Paulo Sérgio; Beltrán, ArmandoMade available in DSpace on 2022-04-29T08:47:39Z (GMT). No. of bitstreams: 0 Previous issue date: 2007-04-25; In this paper we report an experimental and theoretical study based on a periodic density functional investigation into selected compositions of Pb1-x Cax TiO3 (x=0.0, 0.25, 0.50, and 0.75). Based on our findings, we propose that the pseudocubic structure of these perovskites presents a long-range tende...
Experimental and Theoretical Study of SbPO4 under Compression
Pereira, André Luis De Jesus; Santamariá-Pérez, David; Vilaplana, Rosário; Errandonea, Daniel; Popescu, Catalin; Da Silva, Estelina LoraMade available in DSpace on 2020-12-12T01:52:29Z (GMT). No. of bitstreams: 0 Previous issue date: 2020-01-06; SbPO4 is a complex monoclinic layered material characterized by a strong activity of the nonbonding lone electron pair (LEP) of Sb. The strong cation LEP leads to the formation of layers piled up along the a axis and linked by weak Sb-O electrostatic interactions. In fact, Sb has 4-fold coordination wit...
Pb1−xCaxTiO3 solid solution (x=0.0, 0.25, 0.50, and 0.75): a theoretical and ex...
Lázaro, Sérgio Ricardo de; Lucena, Poty Rodrigues de; Sambrano, Júlio Ricardo; Pizani, Paulo Sérgio; Beltrán, Armando; Varela, José Arana; Longo, Elsonp. 1-9; Submitted by Suelen Reis (suziy.ellen@gmail.com) on 2014-01-28T16:55:18Z No. of bitstreams: 1 10.1103-PhysRevB.75.144111.pdf: 288961 bytes, checksum: 6123cd8d2af1715af9c7cf3c832064f4 (MD5); Made available in DSpace on 2014-01-28T16:55:18Z (GMT). No. of bitstreams: 1 10.1103-PhysRevB.75.144111.pdf: 288961 bytes, checksum: 6123cd8d2af1715af9c7cf3c832064f4 (MD5) Previous issue date: 2007; In this paper we ...