| dc.creator | RAMIREZ,RAFAEL | |
| dc.creator | MUJICA,CARLOS | |
| dc.creator | BULJAN,ANTONIO | |
| dc.creator | LLANOS,JAIME | |
| dc.date | 2001-09-01 | |
| dc.date.accessioned | 2020-02-17T15:27:09Z | |
| dc.date.available | 2020-02-17T15:27:09Z | |
| dc.identifier | https://scielo.conicyt.cl/scielo.php?script=sci_arttext&pid=S0366-16442001000300002 | |
| dc.identifier.uri | https://revistaschilenas.uchile.cl/handle/2250/127173 | |
| dc.description | A series of new compounds has been synthesized by insertion of alkali or alkaline earth-metals in chalcopyrite, CuFeS2. Their crystal structures vary from layered arrangements of tetrahedra in a trigonal (LiCuFeS2, NaCuFeS2) or a tetragonal symmetry (KCuFeS2, CsCuFeS2), to three-dimensional cubic framework (Ba6Cu12Fe13S 27). Despite these differences, the synthesized compounds follow a common structural pattern: the sulfur and M atoms (M= Li, Na, K, Cs, or Ba) are ordered in a distorted face-centered-cubic lattice, where all tetrahedral holes surrounded by S atoms are occupied by the transition metal elements. The tetrahedral holes surrounded by both S atoms and at least one M element are empty. The band structures of these compounds are discussed in the framework of an extended Hückel Hamiltonian | |
| dc.format | text/html | |
| dc.language | en | |
| dc.publisher | Sociedad Chilena de Química | |
| dc.relation | 10.4067/S0366-16442001000300002 | |
| dc.rights | info:eu-repo/semantics/openAccess | |
| dc.source | Boletín de la Sociedad Chilena de Química v.46 n.3 2001 | |
| dc.subject | chalcogenides | |
| dc.subject | semiconductors | |
| dc.subject | electronic structure | |
| dc.subject | crystal structure | |
| dc.title | A FAMILY OF NEW COMPOUNDS DERIVED FROM CHALCOPYRITE. COMMON PATTERNS IN THEIR ELECTRONIC AND CRYSTAL STRUCTURES | |
