Electronic and optical properties of ZnSe by theoretical simulation TB-mBJ (Tran-Blaha modified Becke Johnson) associated to analysis techniques XPS (X-Ray Photoelectron Spectroscopy); REELS (Reflective Electron Energy Loss Spectroscopy) and PLS (Photoluminescence Spectroscopy)

被引：12

作者：

Halati, Mohamed Salah ^{[1
,6
]}

Benchenane, Halima ^{[7
]}

Bouslama, M'hammed ^{[1
]}

Mokadem, Azzeddine ^{[1
]}

Ouerdane, Abdellah ^{[1
,2
]}

Bedjaoui, Abdelhak ^{[3
,4
]}

Bouhemadou, Abdelmadjid ^{[4
]}

Guezzoul, M'hamed ^{[1
]}

Kharoubi, Bachir ^{[1
,5
]}

Abdelkrim, Mahfoud ^{[1
]}

Bensassi, Kadda Benmohktar ^{[1
]}

Baizid, Abdelhak ^{[1
]}

机构：

[1] Natl Polytech Sch ENP Maurice Audin, Lab Mat LABMAT, POB 1523 El Mnaouer, Oran 31000, Algeria

[2] Univ Djilali Bounaama Khemis Meliana, Ain Defla 44000, Algeria

[3] Mira Univ Bejaia, Dept Common Trunk, Bejaia 06000, Algeria

[4] Univ Ferhat Abbas Setif 1, Fac Sci, Dept Phys, Lab Developing New Mat & Their Characterizat, Setif 19000, Algeria

[5] Univ Tiaret, Fac Appl Sci, Res Lab Ind Technol, Tiaret 14000, Algeria

[6] Khider Univ Biskra, Sci & Tech Res Ctr Arid Areas CRSTRA Omar El Barn, Campus Mohamed, Biskra 07000, Algeria

[7] Natl Polytech Sch ENP Oran, Lab Appl Biomech & Biomat LABAB, BP 1523 El Mnaouar, Oran 31000, Algeria

来源：

APPLIED SURFACE SCIENCE | 2021年 / 566卷 / 566期

关键词：

ZnSe; Density of states; Electron distribution; Dielectric function; Interband transition; THIN-FILMS; STRUCTURAL-CHARACTERIZATION; SE; ZNX; SEMICONDUCTORS; TRANSPORT; TE;

D O I：

10.1016/j.apsusc.2021.150690

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：

Our work aims to establish a correspondence between the obtained theoretical and experimental results on the electronic and optical properties of ZnSe. The calculated DOS (Density of States) using the FP-LAPW method with the Tran-Blaha modified BeckeJohnson exchange-correlation potential reveal that the upper valence energy levels involve an important contribution from the Se-(4p and 3d) electron states with a small contribution from the Zn-2s states. The real (e1(w)) and imaginary (e2(w)) parts of the dielectric function show the anisotropy character of wZnSe. The main peaks appearing in the e2(w) spectrum, are calculated by summing over all contributions of electronic transitions between the pairs of bands Vn -> Cn ' , where Vn is an occupied valence band and Cn ' is an unoccupied conduction band. Experimentally, the XPS (X-Ray Photoelectron Spectroscopy) analysis technique is used to show the clean and homogeneous state of ZnSe. To confirm the calculated electron transitions, we use the REELS (Reflected Electron Energy Loss Spectroscopy) technique of great sensitivity for displaying the electron interband transitions. The electron states in the w-ZnSe gap are determined through the Gaussian deconvolution of the photoluminescence spectrum (PLS).

引用

页数：10

共 59 条

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