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  <record>
    <language>eng</language>
    
      <publisher>Oriental Scientific Publishing Company</publisher>
    
    <journalTitle>Material Science Research India</journalTitle>
    
      <issn>0973-3469</issn>
    
    
    <publicationDate>2020-07-30</publicationDate>
    

        <volume>17</volume>

        <issue>specialissue2020</issue>

 

    <startPage>07</startPage>
    <endPage>12</endPage>

   
      <doi></doi>
    
    <publisherRecordId>16189</publisherRecordId>
    <documentType>article</documentType>
    <title language="eng">Structural, Vibrational, and Electronic Properties of Trigonal Cu2SrSnS4 Photovoltaic Absorber from First-Principles Calculations</title>

    <authors>
	 


      <author>
       <name>Sriram Poyyapakkam Ramkumar</name>

 
		

	<affiliationId>1</affiliationId>
      </author>
    


	


	


	



	



	

    </authors>
    
	    <affiliationsList>
	    
		

		<affiliationName affiliationId="1">Research Associate, Department of Materials Science and Engineering, University of California, Merced,  USA, 95343, </affiliationName>
    


		

		

		

		

		

	  </affiliationsList>







    <abstract language="eng">In the search for sustainable alternate absorber materials for photovoltaic applications, the family of chalcogenides provide a promising solution. While the most commonly studied Cu<sub>2</sub>ZnSnS<sub>4 </sub>based kesterite solar cells seem to have intrinsic drawbacks such as low-efficiency arising from defects and anti-disorder in the Cu-Zn sites, substituting other elements in the Cu/Zn sites have been considered. In this direction, Cu<sub>2</sub>(Ba,Sr)SnS<sub>4 </sub>provide an interesting alternative as they possibly help limit the intrinsic anti-site disorder in the system which is of primary concern with regard to efficiency loses. In this study, we report the structural, vibrational, and electronic properties of trigonal structured Cu<sub>2</sub>SrSnS<sub>4</sub> quarternary system computed from first-principles density functional theory paving way for further characterization and analysis within this class of materials.</abstract>

    <fullTextUrl format="html">https://www.materialsciencejournal.org/specialissue2020/structural-vibrational-and-electronic-properties-of-trigonal-cu2srsns4-photovoltaic-absorber-from-first-principles-calculations/</fullTextUrl>




      <keywords language="eng">
        <keyword>Chalcogenides</keyword>
      </keywords>


      <keywords language="eng">
        <keyword> Density Functional Theory (DFT)</keyword>
      </keywords>


      <keywords language="eng">
        <keyword> Density Functional Perturbation Theory (DFPT)</keyword>
      </keywords>


      <keywords language="eng">
        <keyword> Photovoltaics (PV)</keyword>
      </keywords>


      <keywords language="eng">
        <keyword> Vibrational Properties</keyword>
      </keywords>

  </record>

</records>