Browsing by Author "Rajeev Ahuja"

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First-principles calculations on superconductivity and H-diffusion kinetics in Mg–B–H phases under pressures

Wiwittawin Sukmas; Prutthipong Tsuppayakorn-aek; Prayoonsak Pluengphon; Stewart J. Clark; Rajeev Ahuja; Thiti Bovornratanaraks; Wei Luo (2023)

Focusing towards ternary metal hydrides has recently been regarded as a new avenue for research in pressure-dependent high-temperature superconductors, thanks highly to a fairly large number of permutations of alloying ...
Lattice dynamic stability and electronic structures of ternary hydrides La1-xYxH3 via first-principles cluster expansion

Prutthipong Tsuppayakorn-aek; Wiwittawin Sukmas; Prayoonsak Pluengphon; Burapat Inceesungvorn; Piya Phansuke; Pungtip Kaewtubtim; Rajeev Ahuja; Thiti Bovornratanaraks; Wei Luo (2022)

Lanthanum hydride compounds LaH3 become stabilized by yttrium substitution under the influence of moderate pressure. Novel materials with a wide range of changes in the structural properties as a function of hydrogen are ...
Pressure-induced lattice-dynamical stability and superconductivity of ternary pentahydride MgNiH5

Prutthipong Tsuppayakorn-aek; Prayoonsak Pluengphon; Wiwittawin Sukmas; Burapat Inceesungvorn; Rajeev Ahuja; Thiti Bovornratanaraks; Wei Luo (2022)

We predict the existence of ternary pentahydride MgNiH5, adopting a hexagonal structure with a space group P63/mmc, at high pressure. Typically, the clarity of structural-phase stability could be demonstrated by thermodynamical ...

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