Metallic and intra-band investigation of optical properties for Borophene nano-sheet: a DFT study

被引:26
|
作者
Abasi, T. [1 ]
Boochani, A. [2 ]
Masharian, S. R. [1 ]
机构
[1] Islamic Azad Univ, Hamedan Branch, Dept Phys, Hamadan, Hamadan, Iran
[2] Islamic Azad Univ, Kermanshah Branch, Dept Phys, Kermanshah, Iran
关键词
DFT; Borophene; Electronic properties; Optical properties; 2-DIMENSIONAL BORON; PHOSPHORENE; CHEMISTRY; SILICENE; GRAPHENE;
D O I
10.1007/s40089-019-00288-4
中图分类号
TB3 [工程材料学];
学科分类号
0805 ; 080502 ;
摘要
In this paper, using the density functional theory framework with the FP-LAPW + lo method by GGA approximation, the electronic and optical properties such as band structure, density of states, dielectric function, energy loss function, absorption and reflection have been investigated for borophene nano-sheet. The optical properties of the borophene have been changed as the incident light direction whereas has the metallic and semiconductor behavior, in the borophene sheet and perpendicular light angles, respectively. Therefore, it can be said that the optical properties of this material are anisotropic.
引用
收藏
页码:33 / 41
页数:9
相关论文
共 40 条
  • [1] Metallic and intra-band investigation of optical properties for Borophene nano-sheet: a DFT study
    T. Abasi
    A. Boochani
    S. R. Masharian
    International Nano Letters, 2020, 10 : 33 - 41
  • [2] THE Ru IMPURITY EFFECT ON ELECTRONIC, OPTICAL AND THERMOELECTRIC PROPERTIES OF MoS2 NANO-SHEET: A DFT STUDY
    Dezfuli, Firouzeh Motamad
    Boochani, Arash
    Parhizgar, Sara Sadat
    Darabi, Elham
    ARCHIVES OF METALLURGY AND MATERIALS, 2021, 66 (02) : 461 - 468
  • [3] Electronic, magnetic and optical properties of Fe-doped nano-BN sheet: DFT study
    Tizroespeli, F.
    Parhizgar, Sara Sadat
    Beheshtian, J.
    Boochani, A.
    INDIAN JOURNAL OF PHYSICS, 2021, 95 (05) : 823 - 831
  • [4] DFT study of superhalogen-doped borophene with enhanced nonlinear optical properties
    Muhammad Ishaq
    Rao Aqil Shehzad
    Muhammad Yaseen
    Saleem Iqbal
    Khurshid Ayub
    Javed Iqbal
    Journal of Molecular Modeling, 2021, 27
  • [5] DFT study of superhalogen-doped borophene with enhanced nonlinear optical properties
    Ishaq, Muhammad
    Shehzad, Rao Aqil
    Yaseen, Muhammad
    Iqbal, Saleem
    Ayub, Khurshid
    Iqbal, Javed
    JOURNAL OF MOLECULAR MODELING, 2021, 27 (06)
  • [6] Electronic, magnetic and optical properties of Fe-doped nano-BN sheet: DFT study
    F. Tizroespeli
    Sara Sadat Parhizgar
    J. Beheshtian
    A. Boochani
    Indian Journal of Physics, 2021, 95 : 823 - 831
  • [7] The electronic and optical properties of 3d transition metals doped silicene sheet: A DFT study
    Gheshlagh, Z. Hasanzadeh Tazeh
    Beheshtian, Javad
    Mansouri, Sakineh
    MATERIALS RESEARCH EXPRESS, 2019, 6 (12)
  • [8] Adsorption of various types of amino acids on the graphene and boron-nitride nano-sheet, a DFT-D3 study
    Zhiani, Rahele
    APPLIED SURFACE SCIENCE, 2017, 409 : 35 - 44
  • [9] Mechanical properties of boron nitride nano-sheet reinforced aluminium nanocomposite: a molecular dynamics study
    Srivastava, Ashish Kumar
    Pathak, Vimal Kumar
    Kumar, Manoj
    Kumar, Rajesh
    Prakash, Surya
    MOLECULAR SIMULATION, 2022, 48 (11) : 1003 - 1016
  • [10] Investigation of the phosphorene nano-sheet as a sensor for detecting aspartic-acid, alanine and glycine amino acids: A first principle study
    Loushab, S. Ebrahimi
    Benam, M. R.
    Shahri, R. Pilevar
    Baedi, J.
    Feyzi, A.
    PHYSICA B-CONDENSED MATTER, 2021, 618