Optical Properties of Ni doped 3C-SiC with ab initio calculations

被引：0

作者：

Houmad, M. ^{[1
]}

Abbassi, A. ^{[1
]}

Benyoussef, A. ^{[1
,2
,3
]}

Ez-Zahraouy, H. ^{[1
]}

El Kenz, A. ^{[1
]}

机构：

[1] Fac Sci Rabat, Dept Phys, Lab Magnetism & Phys High Energy, BP 1014, Rabat, Morocco

[2] MASCIR Moroccan Fdn Adv Sci Innovat & Res, Inst Nonmat & Nanotechnol, Rabat, Morocco

[3] Hassan II Acad Sci & Technol, Rabat, Morocco

来源：

2014 INTERNATIONAL RENEWABLE AND SUSTAINABLE ENERGY CONFERENCE (IRSEC) | 2014年

关键词：

Semiconductors; ab initio calculations; electronic structure; optical properties; GENERALIZED GRADIENT APPROXIMATION; ABSORPTION;

D O I：

暂无

中图分类号：

X [环境科学、安全科学];

学科分类号：

08 ; 0830 ;

摘要：

The optical properties of Ni doped 3C-SiC, with different concentrations, were studied by using the full potential linearized augmented plane wave (FP-LAPW) method with the generalized gradient approximation (GGA) and GGA Modified Becke Johnson (GGA-mBJ) within Wien2k package. The obtained results within GGA-mBJ approximation are in good agreement with experimental data. The electrical conductivity increases with increasing Ni concentration in doped 3C-SiC. The optical absorption, transmission and refractive index are also investigated.

引用

页码：596 / 600

页数：5

共 50 条

[21] Ab initio electronic structure calculations and optical properties of ordered and disordered Ni3Al
Hussain, Altaf
Aryal, Sitaram
Rulis, Paul
Choudhry, M. Arshad
Chen, Jun
Ching, W. Y.
JOURNAL OF ALLOYS AND COMPOUNDS, 2011, 509 (17) : 5230 - 5237
[22] Optical properties of titanium and iron doped 3C-SiC behaviors TB-mBJ
Houmad, Mohamed
Zaari, Halima
Benyoussef, Abdelilah
El Kenz, Abdelah
CHINESE JOURNAL OF PHYSICS, 2016, 54 (06) : 960 - 967
[23] Analysis of the magnetic and optical properties of (Fe, V)-co-doped 3C-SiC using first-principles calculations
Wang, Junjie
Yan, Wanjun
Gao, Tinghong
Gao, Yue
Liu, Yutao
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2023, 181
[24] Ab initio and empirical-potential studies of defect properties in 3C-SiC -: art. no. 245208
Gao, F
Bylaska, EJ
Weber, WJ
Corrales, LR
PHYSICAL REVIEW B, 2001, 64 (24)
[25] Optical and structural properties of polycrystalline 3C-SiC films
Haddad-Adel, A.
Inokuma, T.
Kurata, Y.
Hasegawa, S.
APPLIED PHYSICS LETTERS, 2006, 89 (18)
[26] Ab initio study of the stability of intrinsic and extrinsic Ag point defects in 3C-SiC
Chen, Nanjun
Peng, Qing
Jiao, Zhijie
van Rooyen, Isabella
Skerjanc, William E.
Gao, Fei
JOURNAL OF NUCLEAR MATERIALS, 2018, 510 : 596 - 602
[27] Ab initio calculations of electronic and optical properties in O-doped LiF crystal
Guo, Meili
Zhang, Xiaodong
Gu, Hongen
Wang, Na
CENTRAL EUROPEAN JOURNAL OF PHYSICS, 2008, 6 (02): : 321 - 326
[28] Optical properties of SiC nanocages: ab initio study
Masoud Bezi Javan
Applied Physics A, 2013, 113 : 105 - 113
[29] Optical properties of SiC nanotubes:: An ab initio study
Wu, I. J.
Guo, G. Y.
PHYSICAL REVIEW B, 2007, 76 (03)
[30] Optical properties of SiC nanocages: ab initio study
Javan, Masoud Bezi
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING, 2013, 113 (01): : 105 - 113

← 1 2 3 4 5 →