Thermodynamic instability of ultrathin semiconductor superlattices: The (001) (GaAs<span class="aps-inline-formula"><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><mrow><msub><mrow><mo>)</mo></mrow><mrow><mn>1</mn></mrow></msub></mrow></math></span>(AlAs<span class="aps-inline-formula"><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><mrow><msub><mrow><mo>)</mo></mrow><mrow><mn>1</mn></mrow></msub></mrow></math></span> structure

D. M. Wood; S. -H. Wei; Alex Zunger

doi:10.1103/PhysRevLett.58.1123

Thermodynamic instability of ultrathin semiconductor superlattices: The (001) (GaAs $)_{1}$ (AlAs $)_{1}$ structure

D. M. Wood, S. -H. Wei, and Alex Zunger

Phys. Rev. Lett. 58, 1123 – Published 16 March 1987

Abstract

First-principles total-energy pseudopotential and all-electron calculations predict (001) (GaAs $)_{1}$ (AlAs $)_{1}$ and (CdTe $)_{1}$ (HgTe $)_{1}$ superlattices to be intrinsically unstable towards disproportionation into compounds. This instability is traced to unfavorable charge redistribution in the system.