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- W2112861694 abstract "The (2ifmmodetimeselsetexttimesfi{}2) reconstructions of GaAs(1ifmmodebarelsetextasciimacronfi{} 1ifmmodebarelsetextasciimacronfi{} 1ifmmodebarelsetextasciimacronfi{}) are studied with use of a theoretical approach based on the calculation of the total energy in the context of density-functional theory and the pseudopotential approximation. New models are proposed for the As-rich and Ga-rich reconstructions. The relative chemical potential plays a crucial role in determining the lowest-energy configuration. The total-energy versus chemical-potential curves indicate the possibility of phase transitions between different configurations. One such transition concerning the experimentally observed (ensuremath{surd}19 ifmmodetimeselsetexttimesfi{} ensuremath{surd}19 ) reconstruction can be explained as an intermediate phase between the proposed low-energy (2ifmmodetimeselsetexttimesfi{}2) reconstructions." @default.
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- W2112861694 date "1987-06-15" @default.
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- W2112861694 title "<i>Ab initio</i>theory of polar semiconductor surfaces. II. (<i>22</i>) reconstructions and related phase transitions of GaAs(<i>1¯1¯1¯</i>)" @default.
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- W2112861694 doi "https://doi.org/10.1103/physrevb.35.9636" @default.
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