Defect interactions in Sn1−xGex random alloys
نویسندگان
چکیده
A. Chroneos, C. Jiang, R. W. Grimes, U. Schwingenschlögl, and H. Bracht Department of Materials, Imperial College London, London SW7 2BP, United Kingdom Materials Science and Technology Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA PCSE Division, KAUST, P.O. Box 55455, Jeddah 21534, Saudi Arabia Institute of Material Physics, University of Münster, Wilhelm-Klemm-Straße 10, D-48149 Münster, Germany
منابع مشابه
Structure of Sn12xGex random alloys as obtained from the coherent potential approximation
The structure of the Sn1 xGex random alloys is studied using density functional theory and the coherent potential approximation. We report on the deviation of the Sn1 xGex alloys from Vegard’s law, addressing their full compositional range. The findings are compared to the related Si1 xGex alloys and to experimental results. Interestingly, the deviation from Vegard’s law is quantitatively and q...
متن کاملSynthesis of compositionally controllable Cu2(Sn1−xGex)S3 nanocrystals with tunable band gaps
In this work, we show that compositionally controlled Cu2(Sn1-xGex)S3 nanocrystals can be successfully synthesized by the hot-injection method through careful tuning the Ge/(Sn+Ge) precursor ratio. The band gaps of the resultant nanocrystals are demonstrated to be linearly tuned from 1.45 to 2.33 eV by adjusting the composition parameter x of the Ge/(Sn+Ge) ratio from 0.0 to 1.0. The crystallin...
متن کاملNonlinear stability of E centers in Si1−xGex: Electronic structure calculations
Electronic structure calculations are used to investigate the binding energies of defect pairs composed of lattice vacancies and phosphorus or arsenic atoms E centers in silicon-germanium alloys. To describe the local environment surrounding the E center we have generated special quasirandom structures that represent random silicon-germanium alloys. It is predicted that the stability of E cente...
متن کاملVacancy-impurity pairs in relaxed Si1−xGex layers studied by positron annihilation spectroscopy
Positron annihilation spectroscopy was applied to study relaxed P-doped n-type and undoped Si1−xGex layers with x up to 0.30. The as-grown SiGe layers were found to be defect free and annihilation parameters in a random SiGe alloy could be represented as superpositions of annihilations in bulk Si and Ge. A 2 MeV proton irradiation with a 1.6 1015 cm−2 fluence was used to produce saturated posit...
متن کاملAb initio models of amorphous Si1−xGex :H
We study the structural, dynamical, and electronic properties of amorphous Si1−xGex :H alloys using firstprinciples local basis molecular dynamics techniques. The network topology and defects in the amorphous network have been analyzed. Structural changes, particularly an increase in number of defects and strained bond angles, have been found as the Ge content increases from x=0.1 to 0.5. The e...
متن کامل