TDPAC and first-principles study of electronic and structural properties of a Pd-vacancy complex in undoped germanium

被引：2

作者：

Abiona, Adurafimihan A. ^{[1
]}

Kemp, Williams ^{[1
]}

Timmers, Heiko ^{[1
]}

机构：

[1] Univ New S Wales, Sch Phys Environm & Math Sci, Canberra, ACT 2610, Australia

来源：

CURRENT APPLIED PHYSICS | 2015年 / 15卷 / 03期

关键词：

Germanium; Metal-induced crystallization (MIC); Transition-metal (TM); Time-differential perturbed angular correlations (TDPAC); Density functional theory (DFT); FIELD GRADIENTS; PAIRS; SI; SILICON;

D O I：

10.1016/j.cap.2015.01.005

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Pd is one of the metals suitable for inducing low-temperature crystallization in Ge. However, it is not clear how residual Pd atoms are integrated into the Ge lattice. Therefore, time-differential gamma-gamma perturbed angular correlations (TDPAC) technique using the Pd-100(-> Rh-100) nuclear probe produced by recoil implantation has been applied to study the hyperfine interactions of this probe in single-crystalline undoped Ge. A Pd-vacancy complex aligned along the < 111 > crystallographic direction with a unique interaction frequency of 8.4(5) Mrad/s has been identified. This complex was measured to have a maximum relative fraction of about 76(4)% following annealing at 350 degrees C. Further annealing at higher temperatures reduced this fraction, possibly via dissociation of the complex. Calculations suggest dissociation energy of 1.94(5) eV for the complex. DFT calculations performed in this work are in reasonable good agreement with the experimental values for the electric-field gradient of the defect complex in Ge and Si for comparison. The calculations predict a split-vacancy configuration with the Pd on a bond-centred interstitial site having a nearest-neighbour semi-vacancy on both sides (V-PdBI-V) in Ge and Si. (C) 2015 Elsevier B.V. All rights reserved.

引用

页码：319 / 325

页数：7

共 42 条

[1] Palladium-vacancy pairs in p-type and n-type germanium [J].

Abiona, A. A. ;

Kemp, W. ;

Timmers, H. .

HYPERFINE INTERACTIONS, 2013, 221 (1-3) :65-72

[2] Ab initio studies of the electronic structure of defects in PbTe [J].

Ahmad, Salameh ;

Mahanti, S. D. ;

Hoang, Khang ;

Kanatzidis, M. G. .

PHYSICAL REVIEW B, 2006, 74 (15)

[3] Valency of rare earths in R In3 and R Sn3:: Ab initio analysis of electric-field gradients -: art. no. 195103 [J].

Asadabadi, SJ ;

Cottenier, S ;

Akbarzadeh, H ;

Saki, R ;

Rots, M .

PHYSICAL REVIEW B, 2002, 66 (19) :1-10

[4] ELECTRONIC-STRUCTURE AND TOTAL-ENERGY MIGRATION BARRIERS OF SILICON SELF-INTERSTITIALS [J].

BARYAM, Y ;

JOANNOPOULOS, JD .

PHYSICAL REVIEW B, 1984, 30 (04) :1844-1852

[5]

Bezakova E., 1998, THESIS AUSTR NATL U

[6] ELECTRONIC-STRUCTURE AND ELECTRIC-FIELD GRADIENTS IN 2H-TAS2, LITAS2 AND SNTAS2 [J].

BLAHA, P .

JOURNAL OF PHYSICS-CONDENSED MATTER, 1991, 3 (47) :9381-9393

[7] Pd-vacancy complex in Si identified with the perturbed angular correlation technique [J].

Brett, DA ;

Dogra, R ;

Byrne, AP ;

Mestnik-Filho, J ;

Ridgway, MC .

PHYSICAL REVIEW B, 2005, 72 (19)

[8]

Claeys C., 2007, Germanium-based technologies: from materials to devices

[9] Diluted manganese on the bond-centered site in germanium [J].

Decoster, S. ;

Cottenier, S. ;

Wahl, U. ;

Correia, J. G. ;

Pereira, L. M. C. ;

Lacasta, C. ;

Da Silva, M. R. ;

Vantomme, A. .

APPLIED PHYSICS LETTERS, 2010, 97 (15)

[10] Lattice location study of implanted In in Ge [J].

Decoster, S. ;

De Vries, B. ;

Wahl, U. ;

Correia, J. G. ;

Vantomme, A. .

JOURNAL OF APPLIED PHYSICS, 2009, 105 (08)

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