Please use this identifier to cite or link to this item: 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
Issue Date: Jun-2018
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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