Güncel Gönderiler: Yayın Koleksiyonu
Toplam kayıt 43, listelenen: 41-43
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A comprehensive study on electronic structure and optical properties of carbon nanotubes with doped B, Al, Ga, Si, Ge, N, P and As and different diameters
(ELSEVIER SCIENCE SA, 2019)Density functional theory (DFT) is used for investigating the electronic structure and optical properties carbon nanotubes (CNTs) with doped B, Al, Ga, Si, Ge, N, P and As and different diameters. Our results show that the ... -
Pressure-induced phase transitions, electronic, elastic and vibrational properties of zinc oxide under high pressure
(INDIAN ASSOC CULTIVATION SCIENCE, 2019)In this work, the crystal structure of the ZnO was studied under high hydrostatic pressure using ab initio calculations. Pressure-volume relationships and structural transitions in ZnO were investigated using Siesta method. ... -
An Ab-initio Study of Structural and Electronic Properties of CaTe under High Pressure
(MAIK NAUKA/INTERPERIODICA/SPRINGER, 2019)The crystal structure of the CaTe compound is studied up to 150 GPa under high hydrostatic pressure using the density functional theory (DFT) with the generalized gradient approximation (GGA). Pressure-volume relationships, ...
