Exotic Two-Dimensional Structure: The First Case of Hexagonal NaCl

Kseniya A. Tikhomirova, Christian Tantardini, Ekaterina V. Sukhanova, Zakhar I. Popov, Stanislav A. Evlashin, Mikhail A. Tarkhov, Vladislav L. Zhdanov, Alexander A. Dudin, Artem R. Oganov, Dmitry G. Kvashnin, Alexander G. Kvashnin

Research output: Contribution to journalArticlepeer-review

19 Citations (Scopus)


NaCl is one of the simplest compounds and was thought to be well-understood, and yet, unexpected complexities related to it were uncovered at high pressure and in low-dimensional states. Here, exotic hexagonal NaCl thin films on the (110) diamond surface were crystallized in the experiment following a theoretical prediction based on ab initio evolutionary algorithm USPEX. State-of-the-art calculations and experiments showed the existence of a hexagonal NaCl thin film, which is due to the strong chemical interaction of the NaCl film with the diamond substrate.

Original languageEnglish
Pages (from-to)3821-3827
Number of pages7
JournalJournal of Physical Chemistry Letters
Issue number10
Publication statusPublished - 21 May 2020


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