Infrared spectroscopy on electronic structures of platinum-group metal pernitrides MN2 (M = Ru, Rh, Ir, and Pt)
| Autor: | Masashi Hasegawa, Mai Komabuchi, Keisuke Maeguchi, Ken Niwa, Toshiki Terabe, Masahiko Kato, Kazuo Soda, Yuka Ikemoto, Hidekazu Okamura |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
First-principles calculation
010302 applied physics Materials science Band gap Analytical chemistry Synchrotron radiation Infrared spectroscopy 02 engineering and technology Platinum group Photon energy 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Reflectivity Spectral line Electronic Optical and Magnetic Materials Metal Valence band electronic structure Platinum-group metal pernitride visual_art 0103 physical sciences visual_art.visual_art_medium Infrared reflectance spectra Electrical and Electronic Engineering 0210 nano-technology |
| Zdroj: | Physica B: Condensed Matter. 558:54-58 |
| ISSN: | 0921-4526 |
| DOI: | 10.1016/j.physb.2019.01.017 |
| Popis: | The electronic structures of platinum-group metal pernitrides MN2 (M = Ru, Rh, Ir, and Pt) were investigated via synchrotron radiation infrared spectroscopy and first-principles calculations. Measured reflectance spectra of marcasite-type RuN2 and RhN2 showed Drude-like responses, approaching 1 as the photon energy was decreased, whereas reflectance of arsenopyrite-type IrN2 and pyrite-type PtN2 became ∼0.3 in the low photon energy region with a few features. These findings agreed well with the predictions of the metallic nature of marcasite-type RuN2 and RhN2 and the semiconducting properties of arsenopyrite-type IrN2 and pyrite-type PtN2, respectively. The measured reflectance spectra were also reasonably consistent with the calculated optical responses. The band gaps of IrN2 and PtN2 were estimated to be 0.8 and 2.1 eV, respectively, via first-principles calculation with a modified Becke–Johnson (MBJ) potential for the exchange potential. ファイル公開：2021-04-01 |
| Databáze: | OpenAIRE |
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