Figure 1

Comparison of different models for (a) cohesive energies of a variety of Cd, Te, and CdTe phases and (b) energies of various defects in the equilibrium zinc-blende CdTe crystal. Abbreviations: dc (diamond cubic), sc (simple cubic), bcc (body-centered cubic), fcc (face-centered cubic), hcp (hexagonal close packed), gra (graphite), grap (graphene), A8 (γ-Se), zb (zinc-blende), wz (wurtzite), B1 (NaCl), and B2 (CsCl), $V_{\mathrm{Cd}}$ (Cd vacancy), $V_{\mathrm{Te}}$ (Te vacancy), Cd${}_{\mathrm{Te}}$ (Cd at Te antisite), Te${}_{\mathrm{Cd}}$ (Te at Cd antisite), Cd${}_i$ (Cd interstitial in Te tetrahedron), Te${}_i$ (Te interstitial in Cd tetrahedron), ${\mathrm{Cd}}_{i,\langle 110\rangle }$ and ${\mathrm{Cd}}_{i,\langle 100\rangle }$ (Cd dumbbell interstitials along the $\langle 110\rangle$ and $\langle 100\rangle$ directions), and ${\mathrm{Te}}_{i,\langle 110\rangle }$ and ${\mathrm{Te}}_{i,\langle 100\rangle }$ (Te dumbbell interstitials along the $\langle 110\rangle$ and $\langle 100\rangle$ directions). Here, the straight lines connecting the neighboring data points are used to guide the eye, and unfilled stars refer to the experimental values of the cohesive energies of the equilibrium phases (Ref. 56).Reuse & Permissions

Figure 2

Film configurations obtained at a constant temperature of 1200 K and four different deposition rates of (a) ∼11.2 nm/ns; (b) ∼8.1 nm/ns; (c) ∼5.4 nm/ns; and (d) ∼2.7 nm/ns with diatomic Te${}_2$ vapor. ξ: crystallinity; $X$: stoichiometry; $f_{\mathrm{Cd}@\mathrm{Te}}$ and $f_{\mathrm{Te}@\mathrm{Cd}}$: Cd@Te and Te@Cd antisite concentrations.Reuse & Permissions

Figure 3

Effect of deposition rate on film crystallinity and stoichiometry. The lines only serve to guide the eye. The shaded region corresponds to a converted deposition rate range of $R$ between 0.633 and 8.865 mm/s using Eq. (1), a deposition temperature of $T$ = 650 K, and a surface diffusion barrier of $Q$ = 0.9 eV.Reuse & Permissions

Figure 4

Effect of deposition rate on film antisite concentrations. The lines only serve to guide the eye. The shaded region corresponds to a converted deposition rate range of $R$ between 0.633 and 8.865 mm/s using Eq. (1), a deposition temperature of $T$ = 650 K, and a surface diffusion barrier of $Q$ = 0.9 eV.Reuse & Permissions

Figure 5

Effect of tellurium vapor species (atomic Te instead of molecular Te${}_2$) on film configuration at two adatom energies of (a) 0.1 eV and (b) 1.0 eV. ξ: crystallinity; $X$: stoichiometry; $f_{\mathrm{Cd}@\mathrm{Te}}$ and $f_{\mathrm{Te}@\mathrm{Cd}}$: Cd@Te and Te@Cd antisite concentrations.Reuse & Permissions

Figure 6

Film configurations obtained at a temperature of 1200 K, a deposition rate of ∼2.7 nm/ns, and two different adatom energies of (a) 0.6 eV and (b) 1.0 eV with diatomic Te${}_2$ vapor. ξ: crystallinity; $X$: stoichiometry; $f_{\mathrm{Cd}@\mathrm{Te}}$ and $f_{\mathrm{Te}@\mathrm{Cd}}$: Cd@Te and Te@Cd antisite concentrations.Reuse & Permissions

Figure 7

Film configurations obtained at a constant deposition rate near 3 nm/ns and four different temperatures of (a) 700 K; (b) 900 K; (c) 1000 K; and (d) 1100 K with diatomic Te${}_2$ vapor. ξ: crystallinity; $X$: stoichiometry; $f_{\mathrm{Cd}@\mathrm{Te}}$ and $f_{\mathrm{Te}@\mathrm{Cd}}$: Cd@Te and Te@Cd antisite concentrations.Reuse & Permissions

Figure 8

Effect of substrate temperature on film crystallinity and stoichiometry. The lines only serve to guide the eye. The shaded region corresponds to a converted deposition temperature range of $T$ between 282 and 421 K using Eq. (1), a deposition rate of 0.3 μm/s, and a surface diffusion barrier of $Q$ = 0.9 eV.Reuse & Permissions

Figure 9

Effect of substrate temperature on film antisite concentrations. The lines only serve to guide the eye. The shaded region corresponds to a converted deposition temperature range of $T$ between 282 and 421 K using Eq. (1), a deposition rate of 0.3 μm/s, and a surface diffusion barrier of $Q$ = 0.9 eV.Reuse & Permissions

Figure 10

Effect of substrate temperature on sticking coefficient. The lines only serve to guide the eye. The shaded region corresponds to a converted deposition temperature range of $T$ between 282 and 421 K using Eq. (1), a deposition rate of 0.3 μm/s, and a surface diffusion barrier of $Q$ = 0.9 eV.Reuse & Permissions

Figure 11

Film configurations obtained at a constant deposition rate near 3 nm/ns and different combinations of temperature and vapor ratio of (a) $T$ = 1000 K, Te : Cd = 0.8; (b) $T$ = 1000 K, Te : Cd = 1.2; (c) $T$ = 1200 K, Te : Cd = 0.8; and (d) $T$ = 1200 K, Te : Cd = 1.2, with diatomic Te${}_2$ vapor. ξ: crystallinity; $X$: stoichiometry; $f_{\mathrm{Cd}@\mathrm{Te}}$ and $f_{\mathrm{Te}@\mathrm{Cd}}$: Cd@Te and Te@Cd antisite concentrations.Reuse & Permissions

Figure 12

Effect of vapor phase Te : Cd ratio on film crystallinity and stoichiometry. The lines only serve to guide the eye.Reuse & Permissions

Figure 13

Effect of vapor phase Te : Cd ratio on film antisite concentrations.Reuse & Permissions

Figure 14

Effect of vapor phase Te : Cd ratio on sticking coefficient. The lines only serve to guide the eye.Reuse & Permissions

Figure 15

Evolution of film configurations when deposited on a (10$\%$) larger substrate at a temperature of 1000 K and a deposition rate near 2.5 nm/ns with diatomic Te${}_2$ vapor. (a) Time = 0.012 ns and (b) Time = 0.120 ns.Reuse & Permissions