FIRST PRINCIPLES STUDY OF BORON SEGREGATION ON THE ${\rm Si}(111)(\sqrt{3} \times \sqrt{3}){\rm R}30^{\circ}$ SURFACE

Segregation of boron on ${\rm Si}(111)(\sqrt{3} \times \sqrt{3}){\rm R}30^{\circ}$ surface has been studied using the periodical calculations within the local density approximation. The obtained segregation energy (enthalpy) of about -1.9 eV is close to the published data of experimental studies and previous cluster semiempirical calculations. The influence of plane-wave basis set cutoff energy and the slab unit cell depth on the value of segregation energy has been investigated.