TY - JOUR
T1 - Domain pattern formation in ferroelastic Pb3(PO4)2 by computer simulation
AU - Parlinski, K.
AU - Kawazoe, Y.
N1 - Funding Information:
The authors would like to thank M. Sluiter for fruitful discussions and Y. Hashi and Y. Maruyama for extensive help in handling the computer systems. One of us (K. P.) would like to express his thanks to the staff of the Laboratory of Materials Design by Computer Simulation, Institute for Materials Research, Tohoku University for their great hospitality and assistance during his stay. The visiting research professorship of the Hitachi Corporation is gratefully acknowledged. This work was partially supported by the State Committee of Scientific Research (KBN), Grant No. 2 P03B 145 10.
PY - 1997/9
Y1 - 1997/9
N2 - A model of lead phosphate, which describes the rhombohedral-monoclinic phase transition, is used to form domain patterns in the annealing process. The obtained domain structures show W and W′ types of domain walls in agreement with the stress-free laws proposed in Sapriel's theory. The observed W domain walls are parallel to the ternary symmetry axis, while the W′ ones are tilted with respect to the same axis. The antiphase domain walls take no preferential orientations, and remain parallel to the ternary axis. The calculated density of the potential energy of the domain wall of type W is estimated to be Edw = 49 K/Å2 at T = 300 K.
AB - A model of lead phosphate, which describes the rhombohedral-monoclinic phase transition, is used to form domain patterns in the annealing process. The obtained domain structures show W and W′ types of domain walls in agreement with the stress-free laws proposed in Sapriel's theory. The observed W domain walls are parallel to the ternary symmetry axis, while the W′ ones are tilted with respect to the same axis. The antiphase domain walls take no preferential orientations, and remain parallel to the ternary axis. The calculated density of the potential energy of the domain wall of type W is estimated to be Edw = 49 K/Å2 at T = 300 K.
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U2 - 10.1557/JMR.1997.0313
DO - 10.1557/JMR.1997.0313
M3 - Article
AN - SCOPUS:0031233356
SN - 0884-2914
VL - 12
SP - 2366
EP - 2373
JO - Journal of Materials Research
JF - Journal of Materials Research
IS - 9
ER -