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Computational materials design for high-T(c) (Ga, Mn)As with Li codoping
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.ORCID iD: 0000-0003-4341-5663
2011 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 83, no 16, 165201Article in journal (Refereed) Published
Abstract [en]

Based on first-principles calculations and kinetic Monte Carlo simulations, we design a realistic and practical codoping technique for increasing the concentration of Mn atoms in GaAs and realizing high Curie temperatures in (Ga, Mn) As. We found that using codoping of Li interstitial atoms during the crystal growth has two great advantages. First, due to lower formation energy of Li interstitials compared to Mn interstitials, Li prevents formation of unwanted Mn interstitials. Second, Li interstitials can be removed by using post-growth annealing at low temperatures. This codoping method offers a general strategy to go far beyond the solubility limit and it should be applicable also to other diluted magnetic semiconductor systems.

Place, publisher, year, edition, pages
American Physical Society , 2011. Vol. 83, no 16, 165201
Keyword [en]
magnetic semiconductors
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:kth:diva-39207DOI: 10.1103/PhysRevB.83.165201ISI: 000289229600003Scopus ID: 2-s2.0-79961120055OAI: oai:DiVA.org:kth-39207DiVA: diva2:439642
Funder
Swedish eā€Science Research Center
Note

QC 20110908

Available from: 2011-09-08 Created: 2011-09-08 Last updated: 2017-12-08Bibliographically approved

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Bergqvist, Lars

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