Electronic structure and optical properties of Sb2S3 crystal

被引：84

作者：

Ben Nasr, T. ^{[1
]}

Maghraoui-Meherzi, H. ^{[2
]}

Ben Abdallah, H. ^{[1
]}

Bennaceur, R. ^{[1
]}

机构：

[1] Fac Sci Tunis, Lab Phys Matiere Condensee, Tunis El Manar 2092, Tunisia

[2] Fac Sci Tunis, Lab Chim Analyt & Electrochim, Tunis El Manar 2092, Tunisia

来源：

PHYSICA B-CONDENSED MATTER | 2011年 / 406卷 / 02期

关键词：

DFT; GGA; FP-LAPW; Semiconductors; Electronic structure; Dielectric function; Optical properties; CHEMICALLY DEPOSITED SB2S3; THIN-FILMS; MORPHOLOGY; BAND;

D O I：

10.1016/j.physb.2010.10.070

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The electronic and optical properties of Sb2S3 are studied using the full potential linearized augmented plane wave (FP-LAPW) method as implemented in Wien2k. In this approach, the alternative form of the generalized gradient approximation (GGA) proposed by Engel and Vosko (EV-GGA) was used for the exchange correlation potential. The calculated band structure shows a direct band gap. The contribution of different bands was analyzed from total and partial density of states curves. Moreover, the optical properties, including the dielectric function, absorption spectrum, refractive index, extinction coefficient, reflectivity and energy-loss spectrum are all obtained and analyzed in detail. (C) 2010 Elsevier B.V. All rights reserved.

引用

页码：287 / 292

页数：6

共 29 条

[1] Linear optical properties of solids within the full-potential linearized augmented planewave method [J].

Ambrosch-Draxl, Claudia ;

Sofo, Jorge O. .

COMPUTER PHYSICS COMMUNICATIONS, 2006, 175 (01) :1-14

[2] LINEAR METHODS IN BAND THEORY [J].

ANDERSEN, OK .

PHYSICAL REVIEW B, 1975, 12 (08) :3060-3083

[3] PREPARATION AND PROPERTIES OF SPRAYED ANTIMONY TRISULFIDE FILMS [J].

BHOSALE, CH ;

UPLANE, MD ;

PATIL, PS ;

LOCKHANDE, CD .

THIN SOLID FILMS, 1994, 248 (02) :137-139

[4] First-principles study of the electronic properties of A2B3 minerals, with A=Bi,Sb and B=S,Se [J].

Caracas, R ;

Gonze, X .

PHYSICS AND CHEMISTRY OF MINERALS, 2005, 32 (04) :295-300

[5] PREPARATION AND PROPERTIES OF SB2S3 THIN-FILMS FOR PHOTOELECTROCHEMICAL APPLICATIONS [J].

DESHMUKH, LP ;

HOLIKATTI, SG ;

RANE, BP ;

MORE, BM ;

HANKARE, PP .

JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 1994, 141 (07) :1779-1783

[6] SOME PHYSICAL-PROPERTIES OF EVAPORATED THIN-FILMS OF ANTIMONY TRISULFIDE [J].

ELMANDOUH, ZS ;

SALAMA, SN .

JOURNAL OF MATERIALS SCIENCE, 1990, 25 (03) :1715-1718

[7] EXACT EXCHANGE-ONLY POTENTIALS AND THE VIRIAL RELATION AS MICROSCOPIC CRITERIA FOR GENERALIZED GRADIENT APPROXIMATIONS [J].

ENGEL, E ;

VOSKO, SH .

PHYSICAL REVIEW B, 1993, 47 (20) :13164-13174

[8] Effect of concentration of complexing agent (tartaric acid) on the properties of spray deposited Sb2S3 thin films [J].

Gadakh, SR ;

Bhosale, CH .

MATERIALS CHEMISTRY AND PHYSICS, 2003, 78 (02) :367-371

[9] SOME OPTICAL-PROPERTIES OF AMORPHOUS AND CRYSTALLINE ANTIMONY TRISULFIDE THIN-FILMS [J].

GHOSH, C ;

VARMA, BP .

SOLID STATE COMMUNICATIONS, 1979, 31 (09) :683-686

[10] OPTICAL-PROPERTIES OF AMORPHOUS AND CRYSTALLINE SB2S3 THIN-FILMS [J].

GHOSH, C ;

VARMA, BP .

THIN SOLID FILMS, 1979, 60 (01) :61-65

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