An investigation of electronic and optical properties of TIN nanosheet and compare with TIN bulk (Wurtzite) by first principle

被引：13

作者：

Elahi, S. M. ^{[1
]}

Farzan, M. ^{[1
]}

Salehi, H. ^{[2
]}

Abolhasani, M. R. ^{[1
]}

机构：

[1] Islamic Azad Univ, Plasma Phys Res Ctr, Sci & Res Branch, Tehran, Iran

[2] Shahid Chamran Univ, Dept Phys, Ahvaz, Iran

来源：

OPTIK | 2016年 / 127卷 / 20期

关键词：

Nanosheet; Density function theory; Wien2k cod; GGA; Approximation; Electronic and optical properties; GRAPHENE; STATE; 1ST-PRINCIPLES; ZINCBLENDE; ALLOYS;

D O I：

10.1016/j.ijleo.2016.07.013

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

In this work, we investigated electronic and optical properties of TIN (thallium nitride) nanosheet using density function theory (DFT) implemented in Wien2k code. We calculated the dielectric function, absorption coefficient, optical conductivity, refraction index, extinction index, reflectivity, and energy loss function of the TIN nanosheet within GGA (PBE) approximation in both directions E parallel to x (electric field parallel to nanosheeet) and E parallel to z (electric field perpendicular to nanosheet). we also calculated the band gap energy within GGA (PBE) and GGA (PBE) + SO approximations. Optical conductivity in directions to x and z shows that TIN nanosheet has semiconductor properties especially in direction z. At the end, we calculated electronic and optical properties, and elastic constant of TIN bulk (wurtzite). (C) 2016 Elsevier GmbH. All rights reserved.

引用

页码：9367 / 9376

页数：10

共 50 条

[1] An investigation of electronic and optical properties of InN nanosheet by first principle study
Farzan, M.
Elahi, S. M.
Salehi, H.
Abolhassani, M. R.
OPTICS COMMUNICATIONS, 2017, 395 : 293 - 300
[2] First principle investigation of structural, electronic and optical properties of MgxZn1-xS hexagonal wurtzite ternary alloys
Sarkar, Utpal
Chattopadhyaya, Surya
MATERIALS TODAY-PROCEEDINGS, 2021, 46 : 6207 - 6212
[3] Temperature and pressure dependence on structural, electronic and thermal properties of ZnO wurtzite phase - first principle investigation
Klaa, K.
Labidi, S.
Bououdina, M.
Amara, A.
PHASE TRANSITIONS, 2020, 93 (07) : 654 - 665
[4] Structural and electronic properties of α-tin nanocrystals from first principles
Kuefner, Sebastian
Furthmueller, Juergen
Matthes, Lars
Fitzner, Martin
Bechstedt, Friedhelm
PHYSICAL REVIEW B, 2013, 87 (23)
[5] The First Principle Study: Structural, Electronic, Optical, Phonon and Elastic Properties in Bulk and Monolayer Molybdenum Ditelluride
Tse, Geoffrey
Yu, Dapeng
JOURNAL OF NANOELECTRONICS AND OPTOELECTRONICS, 2017, 12 (02) : 89 - 99
[6] Tuning the electronic and optical properties of silicon-germanium nanosheet through doping with boron and phosphorus: a first principle study
Das, Amarjyoti
Yadav, R. K.
STRUCTURAL CHEMISTRY, 2021, 32 (03) : 1133 - 1140
[7] First-Principles Investigation on Electronic Structure and Optical Properties of Wurtzite InxGa1-xN Alloys
Ruan Xingxiang
Zhang Fuchun
Zhang Weihu
RARE METAL MATERIALS AND ENGINEERING, 2015, 44 (12) : 3027 - 3031
[8] Tuning the electronic and optical properties of silicon-germanium nanosheet through doping with boron and phosphorus: a first principle study
Amarjyoti Das
R. K. Yadav
Structural Chemistry, 2021, 32 : 1133 - 1140
[9] Ab-initio study of electronic and optical properties of InN in wurtzite and cubic phases
Maurya, Tarun K.
Kumar, S.
Auluck, S.
OPTICS COMMUNICATIONS, 2010, 283 (23) : 4655 - 4661
[10] First principle investigation of the structural, electronic and optical properties of methylammonium lead iodide: Implications for photovoltaic applications
Meena A.
Kumari S.
Singh A.
Verma A.S.
International Journal of Computational Materials Science and Surface Engineering, 2021, 10 (01) : 43 - 61

← 1 2 3 4 5 →