@Article{JAMS-5-1,
author = {Sudhapriyanga, G. and T., Asvinimeenaatci, A. and Rajeswarapalanichamy, R. and K., Iyakutti},
title = {Pressure Induced Phase Transition and Superconducting Properties of PtH and IrH: A First Principles Study},
journal = {Journal of Atomic and Molecular Sciences},
year = {2014},
volume = {5},
number = {1},
pages = {64--80},
abstract = {<p style="text-align: justify;">The electronic, structural, mechanical and superconducting properties of
PtH and IrH are investigated using first principles calculation based on density functional
theory with generalized gradient approximation. The calculated lattice constants
at normal pressure are in good agreement with experimental and other theoretical
results. Among the five crystallographic proposed structures investigated, the
cubic phase is found to be more stable than the hexagonal ones. A new high pressure
CsCl phase is predicted for Iridium hydride. The maximum superconducting transition
temperature achieved in Platinum hydride and Iridium hydride are 23.8K and
10K respectively. The calculated elastic constants indicate that both the hydrides are
mechanically stable at ambient pressure.</p>},
issn = {2079-7346},
doi = {https://doi.org/10.4208/jams.041313.062213a},
url = {https://global-sci.com/article/74291/pressure-induced-phase-transition-and-superconducting-properties-of-pth-and-irh-a-first-principles-study}
}