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Combined theoretical and experimental study of the low-temperature properties of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mi>BaZrO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>
Low temperature properties of BaZrO3 are revealed by combining experimental techniques (X-ray diffraction, neutron scattering and dielectric measurements) with theoretical first-principles-based methods (total energy and linear response calculations within density functional theory, and effective Hamiltonian approaches incorporating/neglecting zero-point phonon vibrations). Unlike most of the perovskite systems, BaZrO3 does not undergo …