A FAMILY OF NEW COMPOUNDS DERIVED FROM CHALCOPYRITE. COMMON PATTERNS IN THEIR ELECTRONIC AND CRYSTAL STRUCTURES

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 fr...

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Autores principales:	RAMIREZ,RAFAEL, MUJICA,CARLOS, BULJAN,ANTONIO, LLANOS,JAIME
Lenguaje:	English
Publicado:	Sociedad Chilena de Química 2001
Materias:	chalcogenides semiconductors electronic structure crystal structure
Acceso en línea:	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0366-16442001000300002
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spelling	oai:scielo:S0366-164420010003000022002-02-05A FAMILY OF NEW COMPOUNDS DERIVED FROM CHALCOPYRITE. COMMON PATTERNS IN THEIR ELECTRONIC AND CRYSTAL STRUCTURESRAMIREZ,RAFAELMUJICA,CARLOSBULJAN,ANTONIOLLANOS,JAIME chalcogenides semiconductors electronic structure crystal structure 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 Hamiltonianinfo:eu-repo/semantics/openAccessSociedad Chilena de QuímicaBoletín de la Sociedad Chilena de Química v.46 n.3 20012001-09-01text/htmlhttp://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0366-16442001000300002en10.4067/S0366-16442001000300002
institution	Scielo Chile
collection	Scielo Chile
language	English
topic	chalcogenides semiconductors electronic structure crystal structure
spellingShingle	chalcogenides semiconductors electronic structure crystal structure RAMIREZ,RAFAEL MUJICA,CARLOS BULJAN,ANTONIO LLANOS,JAIME A FAMILY OF NEW COMPOUNDS DERIVED FROM CHALCOPYRITE. COMMON PATTERNS IN THEIR ELECTRONIC AND CRYSTAL STRUCTURES
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
author	RAMIREZ,RAFAEL MUJICA,CARLOS BULJAN,ANTONIO LLANOS,JAIME
author_facet	RAMIREZ,RAFAEL MUJICA,CARLOS BULJAN,ANTONIO LLANOS,JAIME
author_sort	RAMIREZ,RAFAEL
title	A FAMILY OF NEW COMPOUNDS DERIVED FROM CHALCOPYRITE. COMMON PATTERNS IN THEIR ELECTRONIC AND CRYSTAL STRUCTURES
title_short	A FAMILY OF NEW COMPOUNDS DERIVED FROM CHALCOPYRITE. COMMON PATTERNS IN THEIR ELECTRONIC AND CRYSTAL STRUCTURES
title_full	A FAMILY OF NEW COMPOUNDS DERIVED FROM CHALCOPYRITE. COMMON PATTERNS IN THEIR ELECTRONIC AND CRYSTAL STRUCTURES
title_fullStr	A FAMILY OF NEW COMPOUNDS DERIVED FROM CHALCOPYRITE. COMMON PATTERNS IN THEIR ELECTRONIC AND CRYSTAL STRUCTURES
title_full_unstemmed	A FAMILY OF NEW COMPOUNDS DERIVED FROM CHALCOPYRITE. COMMON PATTERNS IN THEIR ELECTRONIC AND CRYSTAL STRUCTURES
title_sort	family of new compounds derived from chalcopyrite. common patterns in their electronic and crystal structures
publisher	Sociedad Chilena de Química
publishDate	2001
url	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0366-16442001000300002
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A FAMILY OF NEW COMPOUNDS DERIVED FROM CHALCOPYRITE. COMMON PATTERNS IN THEIR ELECTRONIC AND CRYSTAL STRUCTURES

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