“…As a rule, in real samples the oxide layer is in an amorphous state. Since there are certain difficulties in simulating the amorphous state for theoretical analysis, the calculations used different polymorphic modifications of crystalline silica, such as christobalite [13][14][16][17][18][19]24,[26][27][28], quartz [17,19,21,25,30], or tridymite [15,17,19,20]. Taking into account that most of the studies used christobalite, we decided to start with a model based on this structure.…”