Kaxiras, EfthimiosBar-Yam, YaneerJoannopoulos, John D.Pandey, K.C.2013-05-011986Kaxiras, Efthimios, Yaneer Bar-Yam, John D. Joannopoulos, and K.C. Pandey. 1986. Variable stoichiometry surface reconstructions: New models for GaAs(1¯1¯1¯) (2×2) and (√1¯9¯×√1¯9¯). Physical Review Letters 57, no. 1:106-109.0031-9007http://nrs.harvard.edu/urn-3:HUL.InstRepos:10605456The (1¯ 1¯ 1¯) surface of GaAs exhibits three stable reconstructions. Two are (2×2), As stabilized and Ga stabilized respectively, and the third is \((\sqrt{19} \times \sqrt{19})\). Transitions between these structures are obtained by variation of the experimental conditions. We propose new models for all of the above reconstructions, based on ab initio total-energy calculations and experimental information regarding surface composition.en-USJournal Article2013-05-0110.1103/PhysRevLett.57.106