most citedPressure-Induced Anomalous Phase Transitions and Colossal Enhancement of Piezoelectricity in PbTiO

329 citations

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cond-mat.mtrl-sci2005★ 15 cited

First principles studies of the Born effective charges and electronic dielectric tensors for the relaxor PMN (PbMg1/3Nb2/3O3)

Narayani Choudhury, R. E. Cohen, Eric J. Walter

We report first principles density functional calculations of the Born effective charges and electronic dielectric tensors for the relaxor PMN (PbMg1/3Nb2/3O3). Visualization of th…

cond-mat.mtrl-sci2005★ 329 cited

Pressure-Induced Anomalous Phase Transitions and Colossal Enhancement of Piezoelectricity in PbTiO

Zhigang Wu, Ronald E. Cohen

We find an unexpected tetragonal-to-monoclinic-to-rhombohedral-to-cubic phase transition sequence induced by pressure, and a morphotropic phase boundary in a pure compound using fi…

cond-mat.mtrl-sci2004★ 47 cited

Ab initio linear response and frozen phonons for the relaxor PMN (PbMg1/3Nb2/3O3)

Narayani Choudhury, Zhigang Wu, E. J. Walter +1

We report first principles density functional studies using plane wave basis sets and pseudopotentials and all electron linear augmented plane wave (LAPW) of the relative stability…