Sakulkalavek, Aparporn

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Sakulkalavek, Aparporn
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Sakulkalavek, A.
Sakulkalavek, Aparpron
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Email
aparporn.sa@kmitl.ac.th

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    Item type:Publication,
    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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    Stability, thermodynamic, electronic, and thermoelectric properties of triclinic Cu2Se structure
    (2024-06-01)
    Kotmool, Komsilp
    ;
    Khammuang, Satchakorn
    ;
    Rudradawong, Chalermpol
    ;
    Thatsami, Niphat
    ;
    Kaewmaraya, Thanayut
    The conversion of heat into electricity using the thermoelectric effect is a crucial issue to tackle the ever-increasing global energy consumption. Cu<inf>2</inf>Se is one of the high-performance thermoelectric materials due to its liquid-like atomic structure, which minimizes the phonon-derived thermal conductivity. Nevertheless, the unambiguous atomic structure of the low-temperature phase, α-Cu<inf>2</inf>Se, remains controversial. By employing a combination of theoretical approaches including an evolutionary algorithm for structural searching, density functional theory, and lattice dynamics, the α-Cu<inf>2</inf>Se phase is proposed to crystalize in the dynamically stable triclinic Cu<inf>2</inf>Se structure (s.g. P1) which can be regarded as a monoclinic polymorph (s.g. P2<inf>1</inf>/c<sup>†</sup>) through slight distortion. The corresponding heat capacity (C<inf>V</inf>) and Debye temperature (Θ<inf>D</inf>) are 0.37 J/g K and 276 K, respectively, indicating low thermal conductivity in the material. The semiconducting P1 phase possesses an indirect gap of 1.0 eV. Additionally, based on the Boltzmann transportation theory, fundamental thermoelectric parameters around the transition temperature (300–500 K) are investigated. Beyond the semiconducting phase, a novel metallic phase identified as the triclinic P1̄ phase is also discovered, exhibiting a two-dimensional (2D) crystal geometry.