\documentclass[10pt]{article}

\usepackage{fullpage}
\usepackage{setspace}
\usepackage{parskip}
\usepackage{titlesec}
\usepackage[section]{placeins}
\usepackage{xcolor}
\usepackage{breakcites}
\usepackage{lineno}
\usepackage{hyphenat}





\PassOptionsToPackage{hyphens}{url}
\usepackage[colorlinks = true,
            linkcolor = blue,
            urlcolor  = blue,
            citecolor = blue,
            anchorcolor = blue]{hyperref}
\usepackage{etoolbox}
\makeatletter
\patchcmd\@combinedblfloats{\box\@outputbox}{\unvbox\@outputbox}{}{%
  \errmessage{\noexpand\@combinedblfloats could not be patched}%
}%
\makeatother


\usepackage{natbib}




\renewenvironment{abstract}
  {{\bfseries\noindent{\abstractname}\par\nobreak}\footnotesize}
  {\bigskip}

\titlespacing{\section}{0pt}{*3}{*1}
\titlespacing{\subsection}{0pt}{*2}{*0.5}
\titlespacing{\subsubsection}{0pt}{*1.5}{0pt}


\usepackage{authblk}


\usepackage{graphicx}
\usepackage[space]{grffile}
\usepackage{latexsym}
\usepackage{textcomp}
\usepackage{longtable}
\usepackage{tabulary}
\usepackage{booktabs,array,multirow}
\usepackage{amsfonts,amsmath,amssymb}
\providecommand\citet{\cite}
\providecommand\citep{\cite}
\providecommand\citealt{\cite}
% You can conditionalize code for latexml or normal latex using this.
\newif\iflatexml\latexmlfalse
\providecommand{\tightlist}{\setlength{\itemsep}{0pt}\setlength{\parskip}{0pt}}%

\AtBeginDocument{\DeclareGraphicsExtensions{.pdf,.PDF,.eps,.EPS,.png,.PNG,.tif,.TIF,.jpg,.JPG,.jpeg,.JPEG}}

\usepackage[utf8]{inputenc}
\usepackage[english]{babel}



\usepackage{float}








\begin{document}

\title{A new layered selenides material; a promising material for
optoelectronic properties; probed by DFT}



\author[1]{sikander Azam}%
\author[1]{Muhammad Imran}%
\author[1]{Amin Rahman}%
\affil[1]{Riphah International University}%


\vspace{-1em}



  
  \date{June 18, 2024}


\begingroup
\let\center\flushleft
\let\endcenter\endflushleft
\maketitle
\endgroup





\selectlanguage{english}
\begin{abstract}
The optical properties, electronic charge density, electronic structure
of the new layered selenides materials, BaGdCuSe3, CsUCuSe3, CsZrCuSe3,
and CsGdZnSe3 compounds have been calculated by using the full potential
and linear augmented plane wave (FP-LAPW) methods as applied in the
WIEN2k package, which is based on the density functional theory. The
ALnMSe3 compound's structure of these was (A= Cs, Ba; Ln = Zr, Gd, U; M=
Cu, Zn) is composed of {]} (n = 1, 2) layers, which might be separated
by A atoms. It is to be observed that there is strong hybridization has
been observed between the s, p, and d states of Zr, Gd, and Cu atoms. As
the charge density contour, around the gadolinium atom, the charge
density contours are completely circular, but the Gadolinium ``Gd'' atom
shows an ionic nature. To calculate the refractive index, we used
Kramer's Kronig correlations with the imaginary part. The decrease in
the refractive index is due to the lack of probability for direct
excitation of the electrons, resulting in a loss of energy. The value of
the static refractive index for all reference compounds is about 1.75
\textasciitilde{} 2.25.%
\end{abstract}%



\sloppy


\textbf{Hosted file}

\verb`Manuscript.doc`  available at \url{https://authorea.com/users/461863/articles/557448-a-new-layered-selenides-material-a-promising-material-for-optoelectronic-properties-probed-by-dft}

\selectlanguage{english}
\FloatBarrier
\end{document}

