Author/Authors :
Jones، نويسنده , , R. and Resende، نويسنده , , A. and ضberg، نويسنده , , S. and Briddon، نويسنده , , P.R.، نويسنده ,
Abstract :
The electrical levels of various combinations of transition metal-Hn defects in Si are calculated using spin-polarised local density functional cluster theory with an empirical correction. The shifts of these levels with H can be understood through a displacement and splitting of the gap t2 manifold of states due to the impurity. Passive defects are identified.
Keywords :
Transition-metal impurities , H , Si , complexes , Ab initio theory
