Physics – Condensed Matter – Materials Science
Scientific paper
1994-12-21
Physics
Condensed Matter
Materials Science
13 pages, latex, 3 uuencoded postscript figures
Scientific paper
10.1103/PhysRevLett.74.4067
A complete mapping in the Brillouin zone of the structural instability associated with the ferroelectric phase transitions of KNbO$_3$ has been obtained by first-principles calculations using an LAPW linear response approach. The wavevector dependence of the instability reveals pronounced two-dimensional character, which corresponds to chains oriented along $\left<100\right>$\ directions of displaced Nb atoms. The results are discussed in relation to models of the ferroelectric phase transitions.
Krakauer Henry
Yu Rici
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