Two FeH pairs in n-type Si and their implications:: A theoretical study

被引:8
作者
Szwacki, N. Gonzalez [1 ]
Sanati, M. [1 ]
Estreicher, S. K. [1 ]
机构
[1] Texas Tech Univ, Dept Phys, Lubbock, TX 79409 USA
来源
PHYSICAL REVIEW B | 2008年 / 78卷 / 11期
关键词
D O I
10.1103/PhysRevB.78.113202
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Experimental evidence for interstitial {FeH} pairs in n-type Si stems from thermally stimulated capacitance (TSCAP). Electron- paramagnetic resonance (EPR) data have also been interpreted in terms of {FeH} pairs. We present theoretical studies of two {FeH} pairs. The properties of the first match those of the TSCAP center but are incompatible with the EPR center. The second is a possible candidate for the EPR center. If true, this suggests that high-temperature anneals can introduce substitutional Fe in concentrations higher than commonly believed.
引用
收藏
页数:4
相关论文
共 58 条
[1]  
Artacho E, 1999, PHYS STATUS SOLIDI B, V215, P809, DOI 10.1002/(SICI)1521-3951(199909)215:1<809::AID-PSSB809>3.0.CO
[2]  
2-0
[3]   PROJECTOR AUGMENTED-WAVE METHOD [J].
BLOCHL, PE .
PHYSICAL REVIEW B, 1994, 50 (24) :17953-17979
[4]   ELECTRONIC-STRUCTURE APPROACH FOR COMPLEX SILICAS [J].
DEMKOV, AA ;
ORTEGA, J ;
SANKEY, OF ;
GRUMBACH, MP .
PHYSICAL REVIEW B, 1995, 52 (03) :1618-1630
[5]   Iron in silicon: Interactions with radiation defects, carbon, and oxygen [J].
Estreicher, S. K. ;
Sanati, M. ;
Szwacki, N. Gonzalez .
PHYSICAL REVIEW B, 2008, 77 (12)
[6]   Thermodynamics of impurities in semiconductors [J].
Estreicher, SK ;
Sanati, M ;
West, D ;
Ruymgaart, F .
PHYSICAL REVIEW B, 2004, 70 (12) :125209-1
[7]   HYDROGEN-RELATED DEFECTS IN CRYSTALLINE SEMICONDUCTORS - A THEORISTS PERSPECTIVE [J].
ESTREICHER, SK .
MATERIALS SCIENCE & ENGINEERING R-REPORTS, 1995, 14 (7-8) :319-412
[8]   Optimized basis sets for the collinear and non-collinear phases of iron [J].
García-Suárez, VM ;
Newman, CM ;
Lambert, CJ ;
Pruneda, JM ;
Ferrer, J .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2004, 16 (30) :5453-5459
[9]  
Goss JP, 2007, TOP APPL PHYS, V104, P69
[10]   On the kinetics of the formation of interstitial Fe-vacancy pairs in silicon at high temperatures [J].
Gunnlaugsson, HP ;
Weyer, G ;
Christensen, NE ;
Dietrich, M ;
Fanciulli, M ;
Bharuth-Ram, K ;
Sielemann, R ;
Svane, A .
PHYSICA B-CONDENSED MATTER, 2003, 340 :532-536