Al. Ivanovsky et Rf. Sabiryanov, INTERATOMIC INTERACTIONS AND ELECTRONIC-PROPERTIES OF NACL-TYPE TIXAL1-XNY, Journal of physics and chemistry of solids, 54(9), 1993, pp. 1061-1064
Using the non-empirical discrete-variational method, the calculations
for clusters simulating cubic TiN and TixAl1-xNy alloys were carried o
ut. The changes of the total density-of-states (TDOS) and local densit
y-of-states (LDOS), of the charge distribution and the nature of the i
nteratomic interactions occurring with the introduction of Al atoms in
to the sites of the TiN metallic sublattice are discussed.