Fig. 6: The smooth evolution of total energy upon reduction of the interaction strength U in different configurations under 1T structure of WTe2. | npj Computational Materials

Fig. 6: The smooth evolution of total energy upon reduction of the interaction strength U in different configurations under 1T structure of WTe2.

From: ‘Interaction annealing’ to determine effective quantized valence and orbital structure: an illustration with ferro-orbital order in WTe2

Fig. 6

As the value of U gradually decreases, the total energy evolves smoothly until some configurations become unstable and fall to other more stable ones, as indicated by the abrupt `jump' in the total energy curves.

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