Short-Range Order in VI3

• Published in: Inorganic chemistry Vol. 59; no. 22; pp. 16265 - 16271
• Main Authors: Djurdjić Mijin, Sanja, Abeykoon, A. M. Milinda, Šolajić, Andrijana, Milosavljević, Ana, Pešić, Jelena, Liu, Yu, Petrovic, Cedomir, Popović, Zoran V, Lazarević, Nenad
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 16-11-2020; American Chemical Society (ACS)
• Subjects: crystal structure; group theory; INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; phonons; space group; vinyl
• ISSN: 0020-1669; 1520-510X
• DOI: 10.1021/acs.inorgchem.0c02060

We present a detailed investigation of the crystal structure of VI3, a two-dimensional van der Waals material of interest for studies of low-dimensional magnetism. As opposed to the average crystal structure that features R3̅ symmetry of the unit cell, our Raman scattering and X-ray atomic pair distribution function analysis supported by density functional theory calculations point to the coexistence of short-range ordered P3̅1c and long-range ordered R3̅ phases. The highest-intensity peak, A 1g 3, exhibits a moderate asymmetry that might be traced back to the spin–phonon interactions, as in the case of CrI3.