ANALYTICAL MODEL OF CRITICAL IONICITY FOR A(N)B(8-N) BINARY COMPOUNDS

Authors
Citation
T. Tomoyose, ANALYTICAL MODEL OF CRITICAL IONICITY FOR A(N)B(8-N) BINARY COMPOUNDS, Journal of the Physical Society of Japan, 63(6), 1994, pp. 2085-2088
Citations number
15
Categorie Soggetti
Physics
ISSN journal
00319015
Volume
63
Issue
6
Year of publication
1994
Pages
2085 - 2088
Database
ISI
SICI code
0031-9015(1994)63:6<2085:AMOCIF>2.0.ZU;2-E
Abstract
By using the pseudopotential method, the transverse effective charges Z(T)ZB and Z(T)RS of zincblende and rock-salt structures, respectively , are presented as a function of the Phillips ionicity f(i). The criti cal ionicity F(c) is analytically determined from the critical point w here Z(T)ZB is equal to Z(T)RS. Its average value for various tetrahed ral compounds F(c)BAR is estimated to be F(c)BAR=0.78, which is very c lose to the Phillips critical ionicity F(i) 0.785. The relationship be tween F(c) and F(i) is discussed with respect to the structural instab ility caused by the large effective charge Z(T).