Browsing B6 – LU institūti un aģentūras / Institutes and agencies of the UL by Subject "band structure"

Now showing items 1-2 of 2

    • Ab-Initio Calculations of Oxygen Vacancy in Ga2O3 Crystals 

      Usseinov, A.; Koishybayeva, Zh.; Platonenko, Aleksandrs; Akilbekov, A.; Purans, Juris; Pankratov, Vladimir; Suchikova, Y.; Popov, Anatoli I. (Sciendo, 2021)
      Gallium oxide β-Ga2O3 is an important wide-band gap semiconductor. In this study, we have calculated the formation energy and transition levels of oxygen vacancies in β-Ga2O3 crystal using the B3LYP hybrid exchange-correlation ...

    • Computer Simulations of the Band Structure and Density of States of the Linear Chains of NaCl Ions 

      Myasnikova, L.N.; Istlyaup, A.S.; Sergeyev, D.M.; Zhanturina, N.N.; Shunkeyev, K.Sh.; Popov, Anatoli I. (Sciendo, 2019)
      The paper presents the results of first-principles computer simulations of the band structure, the density of states, and the total energy of NaCl (NaCl, Na2Cl2, Na3Cl3, Na4Cl4, Na6Cl6) linear chains of atoms. Modelling ...