Ab-initio prediction of the mechanical, magnetic and thermoelectric behaviour of perovskite oxides XGaO3 (X = Sc, Ti, Ag) using LDA+U functional: For optoelectronic devices

Author:

Hussain Muhammad Iqbal,Khalil R.M. Arif,Hussain Fayyaz,Rana Anwar Manzoor,Imran Muhammad

Publisher

Elsevier BV

Subject

Materials Chemistry,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Spectroscopy

Reference63 articles.

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2. The structural, electronic and dynamical investigations of NdMn2O5 and La2CoMnO6 for optoelectronic applications: a first Principles study;Hussain;Optik,2020

3. Half-metallic properties of perovskite BaCrO3 and BaCr0.5Ti0.5O3 superlattice: LSDA+U calculations;Zhu;J. Appl. Phys.,2009

4. Efficient hybrid solar cells based on meso-superstructured organometal halide perovskites;Lee;Science,2012

5. Optoelectronic and thermal properties of LiXH3 (X = Ba, Sr, Cs) for hydrogen storage materials: a first principle study;Raza;Solid State Commun.,2019

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