Preparation, transport properties, and electronic structure of quaternary sulfides based on tetrahedral [MS4]4- units:: SrCu2MS4 (M=Ge, Sn)

被引:15
作者
Llanos, J [1 ]
Mujica, C [1 ]
Buljan, A [1 ]
机构
[1] Univ Catolica Norte, Fac Ciencias, Dept Quim, Casilla 1280, Antofagasta, Chile
关键词
chalcogenides; semiconductors; electrical properties; electronic structure; optical properties;
D O I
10.1016/S0925-8388(00)01452-3
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The electrical and optical properties of the trigonal phases SrCu2GeS4 and SrCu2SnS4 were studied by means of electrical conductivity and diffuse reflectance spectra in the W-Vis range. The compounds exhibit a room temperature conductivity of 8.96><10(-4) S cm(-1) for SrCu2GeS4 and 5.01x10(-1) S cm(-1) for SrCu2SnS4. The optical bandgaps were assessed at 2.9 and 2.1 eV, respectively. Electronic structure and bonding relationships were analyzed by means of extended Huckel tight-binding calculations. Based on the experimental results as well as the electronic structure calculations, both phases are classified as semiconductor materials. (C) 2001 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:146 / 152
页数:7
相关论文
共 29 条
[1]  
Albright T.A., 1985, ORBITAL INTERACTIONS
[2]   COUNTERINTUITIVE ORBITAL MIXING IN SEMI-EMPIRICAL AND ABINITIO MOLECULAR-ORBITAL CALCULATIONS [J].
AMMETER, JH ;
BURGI, HB ;
THIBEAULT, JC ;
HOFFMANN, R .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (12) :3686-3692
[3]   A SIMPLE MEASURE OF ELECTRON LOCALIZATION IN ATOMIC AND MOLECULAR-SYSTEMS [J].
BECKE, AD ;
EDGECOMBE, KE .
JOURNAL OF CHEMICAL PHYSICS, 1990, 92 (09) :5397-5403
[4]   TRANSITION-METAL SULFIDE CATALYSIS - RELATION OF THE SYNERGIC SYSTEMS TO THE PERIODIC TRENDS IN HYDRODESULFURIZATION [J].
CHIANELLI, RR ;
PECORARO, TA ;
HALBERT, TR ;
PAN, WH ;
STIEFEL, EI .
JOURNAL OF CATALYSIS, 1984, 86 (01) :226-230
[5]  
GLITZENDANNER RL, 1996, INORG CHEM, V35, P2623
[6]  
HAUSSERMANN U, 1993, PROGRAM MEHMACC
[7]   UBER DEN BANDABSTAND VON GALLIUMNITRID UND ALUMINIUMNITRID [J].
KAUER, E ;
RABENAU, A .
ZEITSCHRIFT FUR NATURFORSCHUNG PART A-ASTROPHYSIK PHYSIK UND PHYSIKALISCHE CHEMIE, 1957, 12 (11) :942-943
[8]  
Landrum G., 1995, YET ANOTHER EXTENDED
[9]   QUATERNARY RB2CU2SNS4, A2CU2SN2S6 (A = NA, K, RB, CS), A2CU2SN2SE6 (A = K, RB), K2AU2SNS4, AND K2AU2SN2S6 - SYNTHESES, STRUCTURES, AND PROPERTIES OF NEW SOLID-STATE CHALCOGENIDES BASED ON TETRAHEDRAL [SNS4]4-UNITS [J].
LIAO, JH ;
KANATZIDIS, MG .
CHEMISTRY OF MATERIALS, 1993, 5 (10) :1561-1569
[10]   Electronic structure and transport properties of Ba6Cu12Fe13S27 [J].
Llanos, J ;
Mujica, C .
MATERIALS RESEARCH BULLETIN, 1997, 32 (09) :1313-1321