List of Articles Band structure

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  1 - Electronic and magnetic properties of a full-Heusler alloy Co2CrGe: a first-principles study
  D P Rai A Shankar  Sandeep M P Ghimire R K Thapa
  10.1186/2251-7235-7-3
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  2 - Calculating the band structure of 3C-SiC using sp3d5s* + ∆ model
  Murat Onen Marco Turchetti
  10.1007/s40094-019-0324-5
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  3 - Using Linear Regression Method to Provide a Mathematical Relation to Investigate the Gap Wavelength Band in Photon Structures for Use in the Design of Optoelectronic Devices
  Mozhgan Javahernia Sahel Javahernia
  10.30495/jce.2022.690857
  Photon crystals are on of the most common structures for designing and implementing electronic optical circuits. The photon gap band is of great importance in these structures. The most common mathematical methods for analyzing and calculating photon band diagrams and e More

  Photon crystals are on of the most common structures for designing and implementing electronic optical circuits. The photon gap band is of great importance in these structures. The most common mathematical methods for analyzing and calculating photon band diagrams and extracting the forbidden photon band of photon crystals is the flat wave expansion method. This method has many complexities that require special commercial software to perform its calculations. In two-dimensional photonic crystals, two parameters in the photon band are affected, which are the refractive index of the dielectric material and the ratio of the radius of the holes to the constant of the crystal lattice (r / a). In this paper, using mathematics and linear regression, simpler relations for extracting the photon band range of photon crystals are presented. Comparison of the results obtained from the relations with the results obtained with BandSOLVE software for photonic crystals shows that the maximum difference between the two calculation methods for fl and fu is 0.007 and 0.028, respectively, and the average difference is , respectively 0.004 and is 0.01. Manuscript profile
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  4 - Si Adsorption on the borne phosphide honey-combe structure
  Hamidreza Alaei Mahnaz Joorabloo
  In this work, based on the Density Function Theory we studied the Borne Phosphide honey-combe structure and for comparing the dimensionality effects, we performed a brief study about its three-dimension (bulk) too. Theses first-principles calculations obtained an indire More

  In this work, based on the Density Function Theory we studied the Borne Phosphide honey-combe structure and for comparing the dimensionality effects, we performed a brief study about its three-dimension (bulk) too. Theses first-principles calculations obtained an indirect band gap for 3D of Bp where it obtained one direct (about 0.9024 eV) for its honey-combe structure that is transparent for vertical polarization beam with a selection ability in transmitance/ adsorbance and reflectance for horizontal polarization. The obtained band gaps are near to repports. As a new work, by adsorption of Si at four outstanding positions on the honey-combe structure of Bp we studied its electrical and optical propertis where the omitting of band gap and pseudo-metaling of structure was a superior result for Si adsorption. for improvement of calculation results we used the Modified Becke–Johnson potential proposed by Tran and Blaha (TB-MBJ). Manuscript profile
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  5 - Adsorption of ozone molecules on AlP-codoped stanene nanosheet: A density functional theory study
  Amirali Abbasi
  10.22034/jna.2019.579776.1121
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  6 - Adsorption of ozone molecules on AlP-codoped stanene nanosheet: A density functional theory study
  Amirali Abbasi
  10.22034/jna.2019.664505
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