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The incorporation of N atoms on GaAs(001)-(2×4)α2 and -(3×3) surfaces under the growth conditions is theoretically investigated on the basis of surface phase diagrams which are obtained by comparing the adsorption energy given by ab initio calculations with the gas-phase chemical potentials. The calculated surface phase diagrams demonstrate that a single N–As dimer is formed on GaAs(001)-(2×4) and...
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