First-principles calculations to investigate optical properties of ByAlxIn1-x-yN alloys for optoelectronic devices

被引：26
作者：
Al-Douri, Y. [1 ]
Merabet, B. [2 ]
Abid, H. [2 ]
Khenata, R. [3 ,4 ]
机构：
[1] Univ Malaysia Perlis, Inst Nano Elect Engn, Perlis, Malaysia
[2] Univ Djillali Liabes Sidi Bel Abbes, Res Ctr, Appl Mat Lab, Sidi Bel Abbes 22000, Algeria
[3] Univ Mascara, LPQ3 M, Mascara 29000, Algeria
[4] King Saud Univ, Dept Phys & Astron, Fac Sci, Riyadh 11451, Saudi Arabia
来源：
SUPERLATTICES AND MICROSTRUCTURES | 2012年 / 51卷 / 03期
关键词：
III-Nitrides; QW laser; Optical properties; BAND-STRUCTURE; HIGH-POWER; GAN; DENSITY; SUSCEPTIBILITIES; POSITRON; WAVELENGTH; SPECTRA; REGION; DIODE;
D O I：
10.1016/j.spmi.2012.01.004
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
First-principles density-functional theory of Full-Potential Linear Augmented Plane Wave (FP-LAPW) within local density approximation (LDA) of the optical properties of ByAlxIn1-x-yN systems (with x = 0.187 and y = 0.062, 0.125 and 0.187) has been performed. Substitutional atoms of Boron induced in small amounts into the (AlxIn1-x)-cationic sublattice of AlInN affects the energy gap of BAlInN. The higher band gap of Al0.375In0.625N alloy can form a useful quantum well (QW) laser structure. A best choice of B-content, ByAlxIn1-x-yN could be an alternative to AlxIn1-N. The results of accurate calculations of the band structures and optical properties show the better performance characteristics belong to the structure containing B-content (y) of 12.5%. The NaCl metallic ByAl0.1875 In0.8125-yN has a direct character for y = 12.5%. The imaginary part of dielectric function, reflectivity, refractive index, absorption coefficient and optical conductivity are investigated well and provide reasonable results for optoelectronic devices applications. (C) 2012 Elsevier Ltd. All rights reserved.
引用
收藏
页码：404 / 411
页数：8
相关论文
共 62 条
  • [1] Adachi S., 1992, Physical properties of III-V semiconductor compounds
  • [2] Adachi S., 2009, Properties of Semiconductor Alloys: Group-IV, III-V and II-VI Semiconductors
  • [3] 250 nm AlGaN light-emitting diodes
    Adivarahan, V
    Sun, WH
    Chitnis, A
    Shatalov, M
    Wu, S
    Maruska, HP
    Khan, MA
    [J]. APPLIED PHYSICS LETTERS, 2004, 85 (12) : 2175 - 2177
  • [4] Shortest wavelength semiconductor laser diode
    Akasaki, I
    Sota, S
    Sakai, H
    Tanaka, T
    Koike, M
    Amano, H
    [J]. ELECTRONICS LETTERS, 1996, 32 (12) : 1105 - 1106
  • [5] Structural phase transition of boron nitride compound
    Al-Douri, Y
    [J]. SOLID STATE COMMUNICATIONS, 2004, 132 (07) : 465 - 470
  • [6] Empirical pseudopotential study of electronic, positron, and structural properties of Ga1-xAlxN
    Al-Douri, Y
    [J]. MATERIALS CHEMISTRY AND PHYSICS, 2004, 88 (2-3) : 339 - 347
  • [7] Electronic and positron properties of zinc-blende structure of GaN, AlN, and their alloy Ga1-xAlxN
    Al-Douri, Y
    [J]. JOURNAL OF APPLIED PHYSICS, 2003, 93 (12) : 9730 - 9736
  • [8] Investigated optical studies of Si quantum dot
    Al-Douri, Y.
    Khenata, R.
    Reshak, A. H.
    [J]. SOLAR ENERGY, 2011, 85 (09) : 2283 - 2287
  • [9] Calculated optical properties of GaX (X=P, As, Sb) under hydrostatic pressure
    Al-Douri, Y.
    Reshak, Ali Hussain
    [J]. APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING, 2011, 104 (04): : 1159 - 1167
  • [10] Investigated optical and elastic properties of Porous silicon: Theoretical study
    Al-Douri, Y.
    Ahmed, N. M.
    Bouarissa, N.
    Bouhemadou, A.
    [J]. MATERIALS & DESIGN, 2011, 32 (07): : 4088 - 4093
1234567