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

[31] First principle study of electronic and optical properties of planar GeC, SnC and SiC nanosheets
Majidi, Soleyman
Elahi, S. Mohammad
Esmailian, Amirhosein
Kanjouri, Faramarz
PROTECTION OF METALS AND PHYSICAL CHEMISTRY OF SURFACES, 2017, 53 (05) : 773 - 779
[32] First-principle studies of phonons and thermal properties of AlN in wurtzite structure
Fu, J. Q.
Song, T. L.
Liang, X. X.
Zhao, G. J.
3RD INTERNATIONAL CONFERENCE ON MATHEMATICAL MODELING IN PHYSICAL SCIENCES (IC-MSQUARE 2014), 2015, 574
[33] Investigation on probing explosive nitroaromatic compound vapors using graphyne nanosheet: a first-principle study
Nagarajan, V.
Chandiramouli, R.
STRUCTURAL CHEMISTRY, 2019, 30 (03) : 657 - 667
[34] Electronic and vibrational properties of pristine and Cd, Si, Zn and Ge-doped InN nanosheet: a first principle study
Amarjyoti Das
R. K. Yadav
Structural Chemistry, 2021, 32 : 379 - 386
[35] Effects of Electric Field on Electronic and Optical Properties of SnSe: A First-Principle Study
Luo, Min
Yin, Haihong
INTEGRATED FERROELECTRICS, 2020, 211 (01) : 167 - 174
[36] Structural, Electronic, and Optical Properties of Bulk Graphdiyne
Luo, Guangfu
Zheng, Qiye
Me, Wai-Ning
Lu, Jing
Nagase, Shigeru
JOURNAL OF PHYSICAL CHEMISTRY C, 2013, 117 (25) : 13072 - 13079
[37] Electronic and optical properties of V doped AN nanosheet: DFT calculations
Javaheri, Sahar
Babaeipour, Manuchehr
Boochani, Arash
Naderi, Sirvan
CHINESE JOURNAL OF PHYSICS, 2018, 56 (06) : 2698 - 2709
[38] An investigation of vacancy defects on electronic and magnetic properties of TlN nanosheet: By density function calculation
Souri, R.
Farzan, M.
SOLID STATE COMMUNICATIONS, 2022, 341
[39] Improving the electronic and optical properties of silicene by doping with transition metals - A DFT investigation
Devi, P. Kalpana
Singh, K. K.
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2025, 1245
[40] First principle calculation of electronic, optical and magnetic properties of Zn1-xFexSe compound
Ismayilova, N. A.
Abbasov, I. I.
INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 2021, 35 (28):

← 1 2 3 4 5 →