CRYSTAL AND BAND ELECTRONIC-STRUCTURES OF THE SEMICONDUCTING PHASE INTHE RADICAL-CATION SALT (ET)(2)TLHG(SE1-XSXCN)(4) (X = 0.125)

Authors
SHIBAEVA RP KHASANOV SS ROZENBERG LP KUSHCH ND YAGUBSKII EB CANADELL E
Citation
Rp. Shibaeva et al., CRYSTAL AND BAND ELECTRONIC-STRUCTURES OF THE SEMICONDUCTING PHASE INTHE RADICAL-CATION SALT (ET)(2)TLHG(SE1-XSXCN)(4) (X = 0.125), Crystallography reports, 42(5), 1997, pp. 778-782
Citations number
20
Categorie Soggetti
Crystallography
Journal title
Crystallography reports → ACNP
ISSN journal
10637745
Volume
42
Issue
5
Year of publication
1997
Pages
778 - 782
Database
ISI
SICI code
1063-7745(1997)42:5<778:CABEOT>2.0.ZU;2-I
Abstract
The crystal structure of (ET)(2)TlHg(Se0.875S0.125CN)(4) (a 14.777(4), b = 13.672(6), and c 20.35 12(6) Angstrom; beta = 82.13(2)degrees; V = 4081 Angstrom(3); sp. gr. P2(1)/a; and Z = 4) has been determined by X-ray diffraction analysis. It is demonstrated that the radical catio n layers in these semiconducting crystals have a structure similar to that of conducting layers in the organic metal of the composition (ET) (4)Cl-2.4H(2)O. The band structure of the crystals is calculated. It i s assumed that the semiconducting phase can be transformed into a meta llic one.