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https://hdl.handle.net/11147/7110
Title: | Structural, electronic and phononic properties of PtSe2: From monolayer to bulk | Authors: | Kandemir, Ali Akbalı, Barış Kahraman, Z. Badalov, S. V. Özcan, Mehmet İyikanat, Fadıl Şahin, Hasan |
Keywords: | 2D materials Monolayers Molybdenum compounds Raman spectroscopy |
Publisher: | IOP Publishing Ltd. | Source: | Kandemir, A., Akbalı, B., Kahraman, Z., Badalov, S. V., Özcan, M., İyikanat, F., and Şahin, H. (2018). Structural, electronic and phononic properties of PtSe2: From monolayer to bulk. Semiconductor Science and Technology, 33(8). doi:10.1088/1361-6641/aacba2 | Abstract: | The layer dependent structural, electronic and vibrational properties of the 1T phase of two dimensional (2D) platinum diselenide are investigated by means of state-of-the-art first-principles calculations. The main findings of the study are: (i) monolayer platinum diselenide has a dynamically stable 2D octahedral structure with 1.66 eV indirect band gap, (ii) the semiconducting nature of 1T-PtSe2 monolayers remains unaffected even at high biaxial strains, (iii) top-to-top (AA) arrangement is found to be energetically the most favorable stacking of 1T-PtSe2 layers, (iv) the lattice constant (layer-layer distance) increases (decreases) with increasing number of layers, (v) while monolayer and bilayer 1T-PtSe2 are indirect semiconductors, bulk and few-layered 1T-PtSe2 are metals, (vi) Raman intensity and peak positions of the A1g and Eg modes are found to be highly dependent on the layer thickness of the material, hence; the number of layers of the material can be determined via Raman measurements. | URI: | http://doi.org/10.1088/1361-6641/aacba2 http://hdl.handle.net/11147/7110 |
ISSN: | 0268-1242 0268-1242 1361-6641 |
Appears in Collections: | Materials Science and Engineering / Malzeme Bilimi ve Mühendisliği Photonics / Fotonik Physics / Fizik Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection |
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