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Fig. 2 | Nanoscale Research Letters

Fig. 2

From: One Way to Design a Valence-Skip Compound

Fig. 2

a The band gap of RbTlCl3 as a function of volume reduction. ΔV = 0 denotes the volume at ambient pressure. b The total energy and pressure of RbTlCl3 for various unit cell volume. Note that we set the formula unit as Rb2Tl1+Tl3+Cl6, which is twice of that in Ref. [6]. For both panels, the dotted line is for z = z 0 (fixed) and the solid line is for optimized z for each volume

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