First-Principles Calculations to Investigate the Ground State, Mechanical Stability, Electronic Structure, and Optical Properties of Tl2SnX3 (X = S, Se, Te) (Feb, 10.1002/crat.202300340, 2024)

被引:0
|
作者
Hanan
机构
关键词
D O I
10.1002/crat.202470042
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
引用
收藏
页数:1
相关论文
共 44 条
  • [31] FIRST-PRINCIPLES STUDY OF ELECTRONIC STRUCTURE AND GROUND-STATE PROPERTIES OF ALKALI-METAL SELENIDES AND TELLURIDES (M2A) [M: Li, Na, K; A: Se, Te]
    Eithiraj, R. D.
    Jaiganesh, G.
    Kalpana, G.
    INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 2009, 23 (25): : 5027 - 5037
  • [32] Janus XMoAZ2 (X = S, Se, Te; A = Si, Ge; Z = N, P, As) monolayers: First-principles insight into electronic structures, optical and photocatalytic properties
    Gao, Zhen
    He, Xin
    Li, Wenzhong
    He, Yao
    Xiong, Kai
    APPLIED SURFACE SCIENCE, 2023, 639
  • [33] The electronic, mechanical properties and in-plane negative Poisson's ratio in novel pentagonal NiX2 (X = S, Se, Te) monolayers with strong anisotropy: A first-principles prediction
    Mao, Yongqiang
    Zhang, Jingyi
    Bai, Shulin
    Wu, Mengxiu
    Luo, Dongming
    Tang, Shuwei
    COMPUTATIONAL MATERIALS SCIENCE, 2023, 216
  • [34] First-principles calculations to investigate structural, electronic, magnetic, optical, mechanical and thermoelectric properties of rare-earth aluminate perovskite XAlO3 (X = Ce, Nd, Gd) compounds
    Alsobhi, B. O.
    MATERIALS CHEMISTRY AND PHYSICS, 2023, 301
  • [35] First-principles calculations to investigate structural, mechanical, electronic, optical, and thermoelectric properties of novel cubic double Perovskites X2AgBiBr6 (X=Li, Na, K, Rb, Cs) for optoelectronic devices
    Aqtash, Nabil Al
    Al Azar, Said M.
    Al-Reyahi, Anas Y.
    Mufleh, Ahmad
    Maghrabi, Mufeed
    Essaoud, Saber Saad
    Berarma, Khadidja
    Mousa, Ahmad A.
    MOLECULAR SIMULATION, 2023, 49 (16) : 1561 - 1572
  • [36] First-principles calculations: Structural stability, electronic structure, optical properties and thermodynamic properties of AlBN2, Al3BN4 and AlB3N4 nitrides
    Li, Bo
    Qi, Huarong
    Duan, Yonghua
    Peng, Mingjun
    MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING, 2023, 160
  • [37] First-principles calculations to investigate structural, electronic, and optical properties of zinc-blende CdxMg(1-x)TeyS(1-y) matched to CdX (X= S, Te) for Predicting critical thickness and corrective Term's effect
    Chahed, Faiza
    Djoudi, Lakhdar
    Boucharef, Mohamed
    Merabet, Mostefa
    Benalia, Salah Eddin
    Kadjaoud, Mohamed
    SOLID STATE COMMUNICATIONS, 2023, 368
  • [38] First-Principles Calculations of the Spin-Dependent Electronic Structure and Strain Tunability in 2D Non-van der Waals Chromium Chalcogenides Cr2X3 (X = S, Se, Te): Implications for Spintronics Applications
    Gebredingle, Yisehak
    Joe, Minwoong
    Lee, Changgu
    ACS APPLIED NANO MATERIALS, 2022, 5 (08) : 10383 - 10391
  • [39] First-principles calculations to investigate electronic, optical, mechanical and thermoelectric properties of lead-free halide double perovskites Na2InBiX6 (X = cl, Br and I) for optoelectronic and thermoelectric applications
    Yasin, Saman
    Ali, Arslan
    Muddassir, M.
    Iqbal, Naeem
    Bano, N.
    Shakil, M.
    COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2025, 1245
  • [40] Comparative Study of the Mechanical, Electronic Structure, and Optical Properties of Cubic Lithium-Based Perovskite LiMgX3 (X = Cl, Br, I) under Pressure Effects: First-Principles Calculations
    Luo, Wei
    Song, Shiyi
    Du, Yaxin
    Hu, Siying
    PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2025, 262 (01):