Ab initiotight-binding analysis of CdS nanocrystals
نویسندگان
چکیده
منابع مشابه
Ab initio tight-binding analysis of CdS nanocrystals
Spherical CdnSm nanocrystals are studied via an ab Initio tight-binding analysis. Starting from the bulk zinc-blende structure, these nanocrystals undergo relaxation as the geometries optimize to configurations that minimize internal forces. The resulting electronic structure and molecular orbitals are analyzed and compared to the electronic structure and molecular orbitals found in the bulklik...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2008
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.77.205125