Transition from indirect to direct band gap in SiC monolayer by chemical functionalization: A first principles study

被引:0
|
作者
Hoat, D.M. [1 ,2 ]
Naseri, Mosayeb [3 ]
Hieu, Nguyen N. [4 ]
Ponce-Pérez, R. [5 ]
Rivas-Silva, J.F. [6 ]
Cocoletzi, Gregorio H. [6 ]
机构
[1] Computational Laboratory for Advanced Materials and Structures, Advanced Institute of Materials Science, Ton Duc Thang University, Ho Chi Minh City, Viet Nam
[2] Faculty of Applied Sciences, Ton Duc Thang University, Ho Chi Minh City, Viet Nam
[3] Department of Physics, Kermanshah Branch, Islamic Azad University, P.O. Box 6718997551, Kermanshah, Iran
[4] Institute of Research and Development, Duy Tan University, Da Nang,550000, Viet Nam
[5] Universidad Autónoma de Coahuila, Facultad de Ciencias Químicas, Ing. J. Cárdenas Valdez, Republica, Saltillo,Coahuila,25280, Mexico
[6] Benemérita Universidad Autónoma de Puebla, Instituto de Física, Apartado Postal J-48, Puebla,72570, Mexico
关键词
Silicon carbide;
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
相关论文
共 50 条
  • [31] First Principles Study Of Electronic Structures Of Direct Band Gap Semiconductors, Graphite Fluorides
    Takagi, Yoshiteru
    Kusakabe, Koichi
    Molecular Crystals and Liquid Crystals, 2002, 388 (01) : 137 - 140
  • [32] Functionalization of monolayer AsP phases by adatoms: a first-principles study
    Ozdemir, I
    Ozaydin, H. D.
    Arkin, H.
    Akturk, E.
    MATERIALS RESEARCH EXPRESS, 2019, 6 (06):
  • [33] DFT Study on Band Gap Tunability in Boron Doped Monolayer SiC
    Kumar, Vipin
    Roy, Debesh R.
    62ND DAE SOLID STATE PHYSICS SYMPOSIUM, 2018, 1942
  • [34] Band gap engineering of monolayer ZrGeTe4 via strain: A first-principles study
    Adam, Mukhtar Lawan
    Moses, Oyawale Adetunji
    Rehman, Zia Ur
    Liu, Zhanfeng
    Song, Li
    Wu, Xiaojun
    MATERIALS CHEMISTRY AND PHYSICS, 2020, 253 (253)
  • [35] Tunable band-gap of the GeC monolayer by strain and electric field: A first-principles study
    Luo, M.
    Xu, Y. E.
    OPTIK, 2019, 195
  • [36] A CO monolayer: first-principles design of a new direct band-gap semiconductor with excellent mechanical properties
    Teng, Zi-Wei
    Liu, Chun-Sheng
    Yan, Xiao-Hong
    NANOSCALE, 2017, 9 (17) : 5445 - 5450
  • [37] Microscopic model for the strain-driven direct to indirect band-gap transition in monolayer MoS2 and ZnO
    Das, Ruma
    Rakshit, Bipul
    Debnath, Saikat
    Mahadevan, Priya
    PHYSICAL REVIEW B, 2014, 89 (11)
  • [38] Indirect-to-direct band gap transition and optical properties of metal alloying of Cs2AgMxBr6 (M = Bi, In, Sb): Insights from the first principles
    Jiao, Yuqiu
    Zhang, Sainan
    Yang, Zhenqing
    Lu, Guiwu
    COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2019, 1148 : 55 - 59
  • [39] Indirect to direct band gap transition in ultra-thin silicon films
    Lin, Linhan
    Li, Zhengcao
    Feng, Jiayou
    Zhang, Zhengjun
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2013, 15 (16) : 6063 - 6067
  • [40] Pressure-induced phase transition and indirect band gap semiconductor in ZnSnN2: First Principles Calculation
    Sailuam, Wutthigrai
    Fongkaew, Ittipon
    Kongnok, Thanundon
    Kotmool, Komsilp
    JOURNAL OF SOLID STATE CHEMISTRY, 2025, 341