This contribution investigates structural, electronic, and optical properties of cubic barium titanate (BaTiO3) perovskites using first-principles calculations of density functional theory (DFT). Generalized gradient approximations (GGA) alongside with PW91 functional have been implemented for the exchange–correlation potential. The obtained results display that BaTiO3 exhibits a band gap of 3.21 eV which agrees well with the previously experimental and theoretical literature. Interestingly, our results explore that when replacing Pd atom with Ba and Ti atoms at 0.125 content a clear decrease in the electronic band gap of 1.052 and 1.090 eV located within the visible range of electromagnetic wavelengths (EMW). Optical parameters such as absorption, reflectivity, the real and imaginary components of the dielectric function, Loss function, reflective index, extinction coefficient were calculated. Thus, the current findings reveal that Pd–BaTiO3 is a promising composition to be synthesised experimentally for various optoelectronic applications. The predicted negative formation energies values of the inspected structures are indicating to exothermic formation process of such materials and more interestingly indicating also to the stability and possibility of synthesizing such materials experimentally.
However, the effects of these ideas are still evident
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The freedom to promote ideas is one of the freedoms protected by constitutions and laws, and it is exercised by individuals through traditional and electronic media. However, this freedom must be exercised according to certain limits, represented by the necessity of respecting human rights, just as individuals have the freedom to exercise their right to publish and express their opinion in every way. Frankly, in return, she must respect the rights of others . Perhaps the development that has occurred in the various media, including journalism, radio, television, and the emergence of a new medium represented by the Internet, has contributed significantly to harming the security of individuals through the promotion of extremist ideas. This be
... Show MoreThe book gives details about the healing power of love
Abstract
The cultural contrast is considered of the essential subjects in the field of administration of international businesses which have great and effective role for representation in one social system for the individuals have various belongings, and the nursing performance is considered an essential basic for health care, thus a discussion for two variables have done to formulate the intellectual frame for this research which are( the cultural contrast and the nursing performance). depended a questionnaire as a research tool by(90) he/ she nurses of the Iraqis and the arrivals( the
... Show MoreLow incoming discharge upstream of Samarra-Al Tharthar System leads to sediment accumulation and forming islands, especially an island upstream of Al Tharthar Regulator. This island and the sedimentation threaten the stability of the structure and reduce the efficiency of the system. This study aims to hydraulically identify the sedimentation problem mentioned above, to find solutions of how to control the sediment problems, and to develop the capacity of
the system for 500 years return period flood of 15060 m3/s. Surface Water Modeling System (SMS10.1) with two dimensional depth average models (RMA-2) software were used to simulate and analyze the system. The results of analysis showed that the maximum permissible discharge through t
The metric dimension and dominating set are the concept of graph theory that can be developed in terms of the concept and its application in graph operations. One of some concepts in graph theory that combine these two concepts is resolving dominating number. In this paper, the definition of resolving dominating number is presented again as the term dominant metric dimension. The aims of this paper are to find the dominant metric dimension of some special graphs and corona product graphs of the connected graphs and , for some special graphs . The dominant metric dimension of is denoted by and the dominant metric dimension of corona product graph G and H is denoted by .
The progress of network and multimedia technologies has been phenomenal during the previous two decades. Unauthorized users will be able to copy, retransmit, modify reproduction, and upload the contents more easily as a result of this innovation. Malicious attackers are quite concerned about the development and widespread use of digital video. Digital watermarking technology gives solutions to the aforementioned problems. Watermarking methods can alleviate these issues by embedding a secret watermark in the original host data, allowing the genuine user or file owner to identify any manipulation. In this study, lots of papers have been analyzed and studied carefully, in the period 2011–2022. The historical basis of the subject shou
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