S K and P K absorption spectra and electronic structures of layered thiophosphates MPS3 |
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| Institution: | 1. Department of Chemistry, Sookmyung Women’s University, Seoul 140-742, Republic of Korea;2. Department of Physics, Sogang University, Seoul 121-742, Republic of Korea;1. Laboratory for Developing New Materials and their Characterization, Department of Physics, Faculty of Science, University of Setif 1, 19000 Setif, Algeria;2. Laboratoire de Physique Quantique et de Modélisation Mathématique (LPQ3M), Département de Technologie, Université de Mascara, 29000 Mascara, Algeria;3. Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia;4. Materials Modelling Lab, Department of Physics, Islamia College, Peshawar, Pakistan;5. Institute of Nano Electronic Engineering, Universiti Malaysia Perlis, 01000 Kangar, Perlis, Malaysia |
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| Abstract: | The S K and P K absorption spectra of layered thiophosphates MPS3 (M = Mg, Mn, Fe, Ni, Zn, Cd, Sn) were measured. The general features of the S K absorption spectra resemble one another, but the intensity ratio of the first peak to a higher energy structure and the energy position of a shoulder vary, depending on the metal species. All the P K absorption spectra exhibit a prominent peak in the neighborhood of the threshold. It is found that (1) the spectra mainly reveal the p-like partial density of states of the unoccupied energy levels of a P2S6]4- cluster and (2) the first peak arises predominantly from the electronic transitions to the antibonding levels of the PS bonds. The electronic structures and the optical spectra are discussed. |
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