2012/08/11 by T. F. Seman, Tsezar F. Seman, K. H. Ahn +6
Chemistry · Materials Science · Physics and Astronomy · #Advanced Condensed Matter Physics #Chemistry #Condensed matter physics #Coupling (piping) #Crystallography #Distortion (music) #Ion #Jahn–Teller effect #Magnetic and transport properties of perovskites and related materials #Materials science #Multiferroics and related materials #Perovskite (structure) #Physics #Quantum mechanics #Shear (geology) #Stability (learning theory) #cond-mat.mtrl-sci #cond-mat.str-el
paper · pdf · doi:10.1103/physrevb.86.184106
6 figures
arxiv created 2012/08/11 · openalex publication_date 2012/11/12 · arxiv updated 2015/06/11 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
We present a theoretical study on the relation between the size of the rare earth ion, often known as chemical pressure, and the stability of the coherent Jahn-Teller distortions in undoped perovskite manganites. Using a Keating model expressed in terms of atomic scale symmetry modes for a simplified two-dimensional model, we show that there exists a coupling between the uniform shear distortion and the staggered buckling distortion within the Jahn-Teller energy term. It is found that this coupling provides a mechanism by which the coherent Jahn-Teller distortion is more stabilized by a smaller rare earth ion. We analyze the appearance of the uniform shear distortion below the Jahn-Teller ordering temperature, estimate the Jahn-Teller ordering temperature and its variation among LaMnO3, PrMnO3, and NdMnO3, and obtain the relations between distortions. We find good agreement between theoretical results and experimental data.