Kotmool, Komsilp

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Kotmool, Komsilp
Alternative Name
Kotmool, K.
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Email
komsilp.ko@kmitl.ac.th

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    Strong electron–phonon coupling and predicted high superconducting transition temperature of MXenes revealed in 2H-Mo2N under biaxial stress
    (2024-12-15)
    Kotmool, Komsilp
    ;
    Tsuppayakorn-aek, Prutthipong
    ;
    Bovornratanaraks, Thiti
    ;
    Kaewmaraya, Thanayut
    ;
    Sakdanuphab, Rachsak
    Extensive investigations have been conducted on Mo-based MXenes due to their high superconducting temperatures (T<inf>c</inf>). This work theoretically reports strong electron–phonon coupling (EPC) and high T<inf>c</inf> (≈38 K) of 2H-Mo<inf>2</inf>N under biaxial stress, with excellent mechanical properties. EPC and T<inf>c</inf> are elucidated upon dynamically stable strain range. At 0% strain, EPC constant (λ) and T<inf>c</inf> are 1.32 and 22.7 K, respectively. They are improved when subjected to biaxial stresses. Strong EPC with λ over 2.0 occurs at −4%, −2.5%, and 5% strains, yielding enhanced T<inf>c</inf>. The finding suggests that the energy levels of electronic bands at the Fermi level are enhanced by strain, which enhances EPC. Moreover, the impact of functional groups on superconductivity has been investigated. The λ’s of Mo<inf>2</inf>NH<inf>2</inf> and Mo<inf>2</inf>NO<inf>2</inf> are reduced, and T<inf>c</inf> drops nearly to 20.0 and 0.9 K, respectively. This work provides an example of designing 2D superconductors by tuning atomic recipes and strain-dependent engineering.
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    Thermodynamic and dynamic stability of NaLiC4: Exploring superconductivity in a layered hexagonal compound through first-principles calculations
    (2024-06-01)
    Pluengphon, Prayoonsak
    ;
    Sukmas, Wiwittawin
    ;
    Tsuppayakorn-aek, Prutthipong
    ;
    Kotmool, Komsilp
    ;
    Sakulkalavek, Aparporn
    The layered hexagonal compound NaLiC<inf>4</inf> has been thoroughly investigated to assess its thermodynamic and dynamic stability in comparison to its parent compounds NaC<inf>2</inf> and LiC<inf>2</inf>. Utilizing first-principles calculations and phonon analyzes, NaLiC<inf>4</inf> has demonstrated remarkable stability within a pressure range of 10 to 100 GPa, surpassing the thermodynamic stability of NaC<inf>2</inf> and LiC<inf>2</inf>. It exhibits metallic behavior with distinctive electronic bands along high symmetry paths, suggesting a conducive environment for superconductivity. The superconducting transition temperature (T<inf>c</inf>) of NaLiC<inf>4</inf> under different pressures was estimated using the Allen–Dynes equation, with a maximum T<inf>c</inf> of 79 K observed at 10 GPa. However, as pressure increases, T<inf>c</inf> gradually decreases, indicating the significant impact of external pressure conditions on the superconducting properties. Notably, the in-plane E<inf>2g</inf> phonon mode originating from the layered hexagonal structure of carbon atoms plays a crucial role in facilitating electron–phonon coupling and influencing the superconducting behavior and T<inf>c</inf> of NaLiC<inf>4</inf>. These findings highlight the thermodynamic and dynamic stability of NaLiC<inf>4</inf> as a promising candidate for exploring superconductivity, offering insights into its electronic properties, pressure-dependent T<inf>c</inf> behavior, and the influence of specific phonon modes. Further theoretical investigations and experimental studies are necessary to fully unlock the potential of NaLiC<inf>4</inf> and its contribution to the development of high-performance superconductors.