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
收藏
页码：9367 / 9376
页数：10
相关论文
共 50 条
  • [21] Electronic structure and optical property studies of wurtzite AgInS2 doped by tin
    Yin, Jianbo
    Lu, Xuefeng
    Dong, Qizheng
    JOURNAL OF ALLOYS AND COMPOUNDS, 2016, 678 : 439 - 443
  • [22] ELECTRONIC PROPERTIES OF TIN TELLURIDE: A FIRST PRINCIPLES STUDY
    Sharma, G.
    Bhambhani, P.
    Munjal, N.
    Sharma, V.
    Sharma, B. K.
    JOURNAL OF NANO- AND ELECTRONIC PHYSICS, 2011, 3 (01) : 341 - 347
  • [23] First principles calculations of structural, electronic and optical properties of InP compound in bulk and nanosheet states
    Davarzani, T.
    Bakhshayeshi, A.
    Motie, I.
    Taghavimendi, R.
    PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 2023, 147
  • [24] OPTICAL PROPERTIES AND ELECTRONIC CHARACTERISTICS OF ALLOYS OF NIOBIUM WITH TIN
    GOLOVASHKIN, AI
    DONNER, ED
    LEVCHENK.IS
    MOTULEVI.GP
    SOVIET PHYSICS JETP-USSR, 1971, 32 (06): : 1064 - +
  • [25] Structural, optical and electronic properties of nanocrystalline TiN films
    Chandra, R
    Chawla, AK
    Kaur, D
    Ayyub, P
    NANOTECHNOLOGY, 2005, 16 (12) : 3053 - 3056
  • [26] 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
  • [27] Growth mechanism of MnS/Fe on TiN surface: First principle investigation
    Tian, Qianren
    Li, Jie
    Wu, Xiangyu
    Fu, Jianxun
    Wang, Guocheng
    JOURNAL OF ALLOYS AND COMPOUNDS, 2020, 844
  • [28] COMPARISON OF ELECTRONIC AND OPTICAL PROPERTIES OF GaN MONOLAYER AND BULK STRUCTURE: A FIRST PRINCIPLE STUDY
    Imran, Muhammad
    Hussain, Fayyaz
    Rashid, Muhammad
    Ullah, Hafeez
    Sattar, Atif
    Iqbal, Faisal
    Ahmad, Ejaz
    SURFACE REVIEW AND LETTERS, 2016, 23 (04)
  • [29] First-principles investigation of electronic and optical properties in wurtzite Zn1-xMgxO
    X. D. Zhang
    M. L. Guo
    C. L. Liu
    L. A. Zhang
    W. Y. Zhang
    Y. Q. Ding
    Q. Wu
    X. Feng
    The European Physical Journal B, 2008, 62 : 417 - 421
  • [30] First-principles investigation of electronic and optical properties in wurtzite Zn1-xMgxO
    Zhang, X. D.
    Guo, M. L.
    Liu, C. L.
    Zhang, L. A.
    Zhang, W. Y.
    Ding, Y. Q.
    Wu, Q.
    Feng, X.
    EUROPEAN PHYSICAL JOURNAL B, 2008, 62 (04): : 417 - 421
12345