Fig. 3: Temperature-driven 1D diffusive, disordered In¹⁺ channel in InTe.

a 3D MEM electron density maps at 25-700 K. The isosurface values are set at 1.45% and 2.35% of the peak electron density values of the In¹⁺ sites for the 25-600 K and 700 K MEM maps, respectively. b 2D MEM electron density maps at 25-700 K on the (100) plane at x = 0.5. The 2D MEM density maps at 25-600 K and 700 K are normalized, respectively, with one times and 1.58 times of the maximum values at the In¹⁺ sites. The ED denotes the electron density. c 1D MEM electron density profile through the In¹⁺ ions along the [001] direction at 25–700 K. The EDs at different temperatures are normalized for better comparison. d The R_F, wR_F, and GoF values for the constrained structure refinements with one interstitial indium moving along the c axis between In¹⁺ sites. Two light gray vertical lines represent the locations of the two interstitial indium sites. e Anisotropic atomic displacement parameters (ADPs) of InTe refined with the two interstitial model. f Enlarged 3D MEM electron density map of InTe at 700 K with an isosurface value of 1.01 e Å^-3.