29 citations · 122 across the 8 of their papers we have counts for
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First-Principles Mapping of the Electronic Properties of Two-Dimensional Materials for Strain-Tunable Nanoelectronics
Kostiantyn V. Sopiha, Oleksandr I. Malyi, Clas Persson
Herein, we demonstrate that first-principles calculations can be used for mapping electronic properties of two-dimensional (2d) materials with respect to non-uniform strain. By inv…
Noble gas as a functional dopant in ZnO
Oleksandr I. Malyi, Kostiantyn V. Sopiha, Clas Persson
Owing to fully occupied orbitals, noble gases are considered to be chemically inert and to have limited effect on materials properties under standard conditions. However, using fir…
Energy, phonon, and dynamic stability criteria of 2d materials
Oleksandr I. Malyi, Kostiantyn V. Sopiha, Clas Persson
First-principles calculations have become a powerful tool to exclude the Edisonian approach in search of novel 2d materials. However, no universal first-principles criteria to exam…