Electromechanical Properties of Ba(1–x)SrxTiO3 Perovskite Solid Solutions from First-Principles Calculations

6533b852fe1ef96bd12aa357

RESEARCH PRODUCT

Electromechanical Properties of Ba(1–x)SrxTiO3 Perovskite Solid Solutions from First-Principles Calculations

Leonid L. Rusevich G. Zvejnieks Roberto Dovesi Alessandro Erba Eugene A. Kotomin

subject

Chemistry Thermodynamics 02 engineering and technology 021001 nanoscience & nanotechnology 01 natural sciences Piezoelectricity Ferroelectricity Hybrid functional Tetragonal crystal system Computational chemistry Linear combination of atomic orbitals Phase (matter)0103 physical sciences :NATURAL SCIENCES:Physics [Research Subject Categories]Physical and Theoretical Chemistry 010306 general physics 0210 nano-technology Perovskite (structure)Solid solution

description

Many thanks to M. Maček-Kržmanc, R. A. Evarestov, D. Gryaznov and D. Fuks for fruitful discussions. This study was supported by the ERA-NET HarvEnPiez project.

year	journal	country	edition	language
2017-12-01

10.1021/acs.jpca.7b08473 https://dspace.lu.lv/dspace/handle/7/52631

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