FIRST PRINCIPLE STUDY OF STRUCTURAL, ELECTRONIC, ELASTIC AND OPTICAL PROPERTIES OF TIXF3 (X = AG AND PD) EMPLOYING ACCURATE TB-MBJ APPROACH

Calcium titanate (CaTi03) is the chemical formula for natural occurring perovskite mineral [1]. Because of low refractive index, this fluoride-type material can be used for defense system, anti-reflection coating and in optics. Bulk modulus (B0) shows the stiffness of the materials, which is greater...

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Veröffentlicht in:	Fluoride 2023-10, Vol.56 (4), p.351-365
Hauptverfasser:	Tahir, Muhammad, Husain, Mudasser, Rahman, Nasir, Sohaibl, Mohammad, Khan, Rajwali, Neffati, Riadh, Murtaza, Ghulam, Khan, Abid Ali, Iqbal, Anwar, Ullah, Asad, Khan, Aurangzeb
Format:	Artikel
Sprache:	eng
Schlagworte:	Crystal structure Electrons Energy Fluorides Investigations Optical properties Optics Optimization Physics Symmetry
Online-Zugang:	Volltext
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