Self-Compensating Incorporation of Mn in Ga1-xMnxAs

J. Mašek, F. Máca
2001 Acta Physica Polonica. A  
A CT A P HY SIC A P O LO N IC A A No . 3 P r oceedi n gs of t h e XXX I n t ern at io n al Sch oo l o f Sem icond uct i ng Co m p ou n ds, Ja szo wi ec 200 1 Self-C om p en sat in g In corp oration of Mn in G a 1À x Mn x As J. M aç sek and F. M Ç aca In st i t ut e of Ph ysi cs, Ac ademy of Sciences of the Czech R epu bl i c Na Slo vance 2, 182 21 P ra ha 8, Czech Republ i c W e consi der hyp othetic al Ga 7 Mn A s8 ; Ga 1 6 MnA s16 ; and Ga 1 4 Mn 3 A s16 crystals w ith Mn in a substitutio nal
more » ... n a substitutio nal , interstitial, and both positio ns. Spin --p olari zed full-poten tial lineari zed au gmented plane w ave calculatio ns were used to obtain their electronic structure. W e show that the interstitial Mn acts as a double donor and comp ensates the holes created by tw o Mn atoms in substitutio nal position s. T his explain s why the numb er of holes in Ga 1 À x Mn x A s is much smaller than x . T he presence of interstitial atoms may also b e the reason for the lattice expansion with increasi ng content of Mn. T he di˜erences in electronic behavior of substituti ona l and interstitial Mn are discussed . PACS numb ers: 71.15.A p, 71. 20.N r, 71. 55. Eq, 75.50. Pp (3 19)
doi:10.12693/aphyspola.100.319 fatcat:e3whnl6ozzfu3hatpnssxqkdti