Record number :
59202
Title of article :
Dynamical properties of pnictide ZnSnP2 from ab initio calculations
Author/Authors :
&Lz.xl، نويسنده , , J.، azewski, نويسنده , , K.، Parlinski, نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2001
Pages :
-161
From page :
162
To page :
0
Abstract :
Self-consistent density-functional calculations are reported for chalcopyrite structure semiconductor ZnSnP2. Results include lattice parameters obtained from total energy minimization as well as phonon dispersion relations and phonon density of states derivated from the Hellmann-Feynman forces using the direct method. Comparison with experimental data and previous calculations based on phenomenological models shows overall agreement.
Keywords :
Phase diagram , chromium , d-metal , Carbon , Ternary alloy
Journal title :
JOURNAL OF ALLOYS AND COMPOUNDS
Link To Document :