HKHLR - HPC Hessen

Henkel, Pascal; Investigation of vacancy diffusion in crystalline LIPON compounds by means of density-functional theory; Figure 3

Henkel, Pascal; Investigation of vacancy diffusion in crystalline LIPON compounds by means of density-functional theory; Figure 3

Henkel, Pascal; Investigation of vacancy diffusion in crystalline LIPON compounds by means of density-functional theory; Figure 3
Caption

Figure 3: Influence of 11 different exchange-correlation-functionals on the diffusion barriers in LIPON (isolated PON3 -tetrahedrone structure). Forth (full filled) and back diffusion (stiffened fiiled) differ for the two pathways 2c3-6g'9 and 2c1-6g9 [7].

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