Molecular Crystals and Liquid Crystals, Vol.700, No.1, 95-106, 2020
Properties of materials for resistive RAM based on HfO2(first principles calculations)
The methods of the theory of the functional of electron density and pseudopotential from the first principles obtained the characteristics of an electronic subsystem of the working layer of RRAM (Resistive Random Access Memory) which is based on the HfO2 It is calculated how the introduction of vacancies into the crystal and the introduction of silver atoms affects the properties of the object. The spatial distributions of the density of valence electrons and their cross sections within the cell, the distribution of the density of electronic states, and electric charges in the vicinity of the Hafnium atoms in different atomic environments are calculated. It is investigated how changes in material structure affect conductive properties.
Keywords:Resistive random access memory;the electron density functional;ab initio pseudopotential;electron structure;density of states