Konu "Structural properties" için listeleme
Toplam kayıt 3, listelenen: 1-3
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First - principles calculations on stability and mechanical properties of various ABO(3) and their alloys
(Elsevier Science Sa, 2018)In this study, we perform first principle calculations based on density functional theory (DFT) to obtain the ground state structural, elastic and dielectric properties of various ABO(3) type ceramics and their {A(x)A'((1-x))}BO3 ... -
Intriguing of two-dimensional Janus surface-functionalized MXenes: An ab initio calculation
(Elsevier, 2020)MXenes, two-dimensional (2D) transition metal carbides and nitrides displaying astonishing properties are emerged as a new class of two-dimensional (2D) layered materials. Motivated by the recent successful synthesis of ... -
New predicted two-dimensional MXenes and their structural, electronic and lattice dynamical properties
(Pergamon-Elsevier Science Ltd, 2019)MXenes, transition metal carbides and nitrides, are a bourgeoning class of two-dimensional (2D) materials due to their tunable electronic and magnetic structures, rich surface chemistry and thermal stability. Here, we ...