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Phase Transitions
A Multinational Journal
Volume 96, 2023 - Issue 6
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Articles

Temperature dependent phase transition and negative thermal expansion of Hg2Cl2 compound: insights from first-principle DFT and Born-Oppenheimer on the fly molecular dynamics calculations

Swarup GhoshDepartment of Physics, Jadavpur University, Kolkata, India
&
Joydeep ChowdhuryDepartment of Physics, Jadavpur University, Kolkata, IndiaCorrespondence[email protected] [email protected]
Pages 446-463 | Received 01 Nov 2022, Accepted 24 Apr 2023, Published online: 12 May 2023

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