Electronic and optical properties of distorted rare-earth manganite under hydrostatic pressure |
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| Authors: | L-G Cai F-M Liu D Zhang W-W Zhong |
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| Institution: | 1. Department of Physics, Bose Institute, 93/1, Acharya Prafulla Chandra Road, Kolkata 700009, West Bengal, India;2. Solid State Research Laboratory, Department of Physics, Burdwan University, Burdwan 713104, India;3. Department of Physical Science, Indian Institute of Science Education and Research, Kolkata, Mohanpur 741252, India;1. Laboratoire de Physique Appliquée, Faculté des Sciences de Sfax, Université de Sfax, B.P. 802, Sfax 3018, Tunisia;2. Institut Néel, CNRS et Université Joseph Fourier, BP 166, F-38042 Grenoble cedex 9, France;1. Department of Materials Science and Engineering, National Tsing Hua University, Hsinchu 300, Taiwan;2. Department of Chemical and Materials Engineering, University of Kentucky, Lexington, KY 40506, USA;1. Laboratoire de Magnétisme et Physique des Hautes Énergies (LMPHE-URAC 12), Faculté des Sciences, Université Mohammed V-Agdal, Rabat, Morocco;2. Department of Physics, Faculty of Science, Ibb University, Ibb, Yemen;3. Département de Physique, Faculté Polydisciplinaire, Université Sultan Moulay Slimane, Béni Mella, Morocco;4. Centre National de l’Energie, des Sciences et des Techniques Nucléaires, Rabat, Morocco;5. Institute of Nanomaterials and Nanotechnology, MAScIR, Rabat, Morocco;6. Hassan II Academy of Science and Technology, Rabat, Morocco;1. College of Material Science and Engineering, Guilin University of Electronic Technology, Guilin 541004, PR China;2. Guangxi Key Laboratory of Information Materials, Guilin University of Electronic Technology, Guilin 541004, PR China;3. Institute of Physics, Chinese Academy of Sciences, Beijing 100190, PR China |
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| Abstract: | The effect of hydrostatic pressure on the crystal structure, electronic and optical properties of distorted rare-earth manganite TbMnO3 has been studied on the basis of first-principle calculations. The results reveal that the band gaps reduce quadratically with increasing pressure. The optical properties of TbMnO3 predict that the peaks in the dielectric function shift to higher photon energy due to the transformation of inner electronic states with increasing pressure. Otherwise, the peaks in the reflectivity spectra and loss function were also found to move to higher photon energy with pressure increasing and the relationships between the positions of these peaks and pressure can be fitted by third order polynomial expressions. |
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