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ELECTRONIC STRUCTURE CALCULATION OF Na2He: Structural, electronic, optical and Thermoelectric properties of Na2He - Couverture souple

 
9786207841936: ELECTRONIC STRUCTURE CALCULATION OF Na2He: Structural, electronic, optical and Thermoelectric properties of Na2He

Synopsis

A computational investigation over structural and electronic properties of Na2He using WIEN2K code by means of Full-potential (FP) Linearized Augmented Plane Wave (LAPW) method using DFT (Density Functional Theory) have been analyzed. In order to acquire a reasonable description of the structural, electronic, optical and thermal properties of the compound Na2He have been computed. Further on this study we made surface structure of this compound by creating a supercell with various thickness of layer and compared the properties with Na2He .The structural parameters viz., lattice constant, bond length, bond angles, the electronic parameters such as band gap, DOS, band structure and optical fundamental constants like dielectric function, optical conductivity refraction and reflectivity, thermoelectric properties have been computed and results agree well with the experimental studies and are similar to the compound used as reference which has been previously studied. The Na2He exhibit a direct band gap located at the Γ symmetry point of the Brillouin zone. These materials are favorable for opto-electronic devices.

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  • ÉditeurLAP LAMBERT Academic Publishing
  • Date d'édition2024
  • ISBN 10 620784193X
  • ISBN 13 9786207841936
  • ReliureBroché
  • Langueanglais
  • Nombre de pages52
  • Coordonnées du fabricantnon disponible

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Jayalakshmi, D. S.; Suganya, B.
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Taschenbuch. Etat : Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - A computational investigation over structural and electronic properties of Na2He using WIEN2K code by means of Full-potential (FP) Linearized Augmented Plane Wave (LAPW) method using DFT (Density Functional Theory) have been analyzed. In order to acquire a reasonable description of the structural, electronic, optical and thermal properties of the compound Na2He have been computed. Further on this study we made surface structure of this compound by creating a supercell with various thickness of layer and compared the properties with Na2He .The structural parameters viz., lattice constant, bond length, bond angles, the electronic parameters such as band gap, DOS, band structure and optical fundamental constants like dielectric function, optical conductivity refraction and reflectivity, thermoelectric properties have been computed and results agree well with the experimental studies and are similar to the compound used as reference which has been previously studied. The Na2He exhibit a direct band gap located at the symmetry point of the Brillouin zone. These materials are favorable for opto-electronic devices. N° de réf. du vendeur 9786207841936

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Taschenbuch. Etat : Neu. Neuware -A computational investigation over structural and electronic properties of Na2He using WIEN2K code by means of Full-potential (FP) Linearized Augmented Plane Wave (LAPW) method using DFT (Density Functional Theory) have been analyzed. In order to acquire a reasonable description of the structural, electronic, optical and thermal properties of the compound Na2He have been computed. Further on this study we made surface structure of this compound by creating a supercell with various thickness of layer and compared the properties with Na2He .The structural parameters viz., lattice constant, bond length, bond angles, the electronic parameters such as band gap, DOS, band structure and optical fundamental constants like dielectric function, optical conductivity refraction and reflectivity, thermoelectric properties have been computed and results agree well with the experimental studies and are similar to the compound used as reference which has been previously studied. The Na2He exhibit a direct band gap located at the ¿ symmetry point of the Brillouin zone. These materials are favorable for opto-electronic devices.Books on Demand GmbH, Überseering 33, 22297 Hamburg 52 pp. Englisch. N° de réf. du vendeur 9786207841936

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Paperback. Etat : new. Paperback. A computational investigation over structural and electronic properties of Na2He using WIEN2K code by means of Full-potential (FP) Linearized Augmented Plane Wave (LAPW) method using DFT (Density Functional Theory) have been analyzed. In order to acquire a reasonable description of the structural, electronic, optical and thermal properties of the compound Na2He have been computed. Further on this study we made surface structure of this compound by creating a supercell with various thickness of layer and compared the properties with Na2He .The structural parameters viz., lattice constant, bond length, bond angles, the electronic parameters such as band gap, DOS, band structure and optical fundamental constants like dielectric function, optical conductivity refraction and reflectivity, thermoelectric properties have been computed and results agree well with the experimental studies and are similar to the compound used as reference which has been previously studied. The Na2He exhibit a direct band gap located at the G symmetry point of the Brillouin zone. These materials are favorable for opto-electronic devices. Shipping may be from our Sydney, NSW warehouse or from our UK or US warehouse, depending on stock availability. N° de réf. du vendeur 9786207841936

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Paperback. Etat : new. Paperback. A computational investigation over structural and electronic properties of Na2He using WIEN2K code by means of Full-potential (FP) Linearized Augmented Plane Wave (LAPW) method using DFT (Density Functional Theory) have been analyzed. In order to acquire a reasonable description of the structural, electronic, optical and thermal properties of the compound Na2He have been computed. Further on this study we made surface structure of this compound by creating a supercell with various thickness of layer and compared the properties with Na2He .The structural parameters viz., lattice constant, bond length, bond angles, the electronic parameters such as band gap, DOS, band structure and optical fundamental constants like dielectric function, optical conductivity refraction and reflectivity, thermoelectric properties have been computed and results agree well with the experimental studies and are similar to the compound used as reference which has been previously studied. The Na2He exhibit a direct band gap located at the G symmetry point of the Brillouin zone. These materials are favorable for opto-electronic devices. Shipping may be from our UK warehouse or from our Australian or US warehouses, depending on stock availability. N° de réf. du vendeur 9786207841936

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Paperback. Etat : new. Paperback. A computational investigation over structural and electronic properties of Na2He using WIEN2K code by means of Full-potential (FP) Linearized Augmented Plane Wave (LAPW) method using DFT (Density Functional Theory) have been analyzed. In order to acquire a reasonable description of the structural, electronic, optical and thermal properties of the compound Na2He have been computed. Further on this study we made surface structure of this compound by creating a supercell with various thickness of layer and compared the properties with Na2He .The structural parameters viz., lattice constant, bond length, bond angles, the electronic parameters such as band gap, DOS, band structure and optical fundamental constants like dielectric function, optical conductivity refraction and reflectivity, thermoelectric properties have been computed and results agree well with the experimental studies and are similar to the compound used as reference which has been previously studied. The Na2He exhibit a direct band gap located at the G symmetry point of the Brillouin zone. These materials are favorable for opto-electronic devices. Shipping may be from multiple locations in the US or from the UK, depending on stock availability. N° de réf. du vendeur 9786207841936

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