A simple electron counting model for half-Heusler surfaces

Publication Date:
2018-06-02
Publisher:
American Association for the Advancement of Science (AAAS)
Electronic ISSN:
2375-2548
Topics:
Natural Sciences in General
Published by:
http://www.aaas.org/
_version_ 1836398955324243968
autor Kawasaki, J. K., Sharan, A., Johansson, L. I. M., Hjort, M., Timm, R., Thiagarajan, B., Schultz, B. D., Mikkelsen, A., Janotti, A., Palmstrom, C. J.
beschreibung Heusler compounds are a ripe platform for discovery and manipulation of emergent properties in topological and magnetic heterostructures. In these applications, the surfaces and interfaces are critical to performance; however, little is known about the atomic-scale structure of Heusler surfaces and interfaces or why they reconstruct. Using a combination of molecular beam epitaxy, core-level and angle-resolved photoemission, scanning tunneling microscopy, and density functional theory, we map the phase diagram and determine the atomic and electronic structures for several surface reconstructions of CoTiSb (001), a prototypical semiconducting half-Heusler. At low Sb coverage, the surface is characterized by Sb-Sb dimers and Ti vacancies, while, at high Sb coverage, an adlayer of Sb forms. The driving forces for reconstruction are charge neutrality and minimizing the number of Sb dangling bonds, which form metallic surface states within the bulk bandgap. We develop a simple electron counting model that explains the atomic and electronic structure, as benchmarked against experiments and first-principles calculations. We then apply the model to explain previous experimental observations at other half-Heusler surfaces, including the topological semimetal PtLuSb and the half-metallic ferromagnet NiMnSb. The model provides a simple framework for understanding and predicting the surface structure and properties of these novel quantum materials.
citation_standardnr 6274595
datenlieferant ipn_articles
feed_id 228416
feed_publisher American Association for the Advancement of Science (AAAS)
feed_publisher_url http://www.aaas.org/
insertion_date 2018-06-02
journaleissn 2375-2548
publikationsjahr_anzeige 2018
publikationsjahr_facette 2018
publikationsjahr_intervall 7984:2015-2019
publikationsjahr_sort 2018
publisher American Association for the Advancement of Science (AAAS)
quelle Science Advances
relation http://advances.sciencemag.org/cgi/content/short/4/6/eaar5832?rss=1
search_space articles
shingle_author_1 Kawasaki, J. K., Sharan, A., Johansson, L. I. M., Hjort, M., Timm, R., Thiagarajan, B., Schultz, B. D., Mikkelsen, A., Janotti, A., Palmstrom, C. J.
shingle_author_2 Kawasaki, J. K., Sharan, A., Johansson, L. I. M., Hjort, M., Timm, R., Thiagarajan, B., Schultz, B. D., Mikkelsen, A., Janotti, A., Palmstrom, C. J.
shingle_author_3 Kawasaki, J. K., Sharan, A., Johansson, L. I. M., Hjort, M., Timm, R., Thiagarajan, B., Schultz, B. D., Mikkelsen, A., Janotti, A., Palmstrom, C. J.
shingle_author_4 Kawasaki, J. K., Sharan, A., Johansson, L. I. M., Hjort, M., Timm, R., Thiagarajan, B., Schultz, B. D., Mikkelsen, A., Janotti, A., Palmstrom, C. J.
shingle_catch_all_1 A simple electron counting model for half-Heusler surfaces
Heusler compounds are a ripe platform for discovery and manipulation of emergent properties in topological and magnetic heterostructures. In these applications, the surfaces and interfaces are critical to performance; however, little is known about the atomic-scale structure of Heusler surfaces and interfaces or why they reconstruct. Using a combination of molecular beam epitaxy, core-level and angle-resolved photoemission, scanning tunneling microscopy, and density functional theory, we map the phase diagram and determine the atomic and electronic structures for several surface reconstructions of CoTiSb (001), a prototypical semiconducting half-Heusler. At low Sb coverage, the surface is characterized by Sb-Sb dimers and Ti vacancies, while, at high Sb coverage, an adlayer of Sb forms. The driving forces for reconstruction are charge neutrality and minimizing the number of Sb dangling bonds, which form metallic surface states within the bulk bandgap. We develop a simple electron counting model that explains the atomic and electronic structure, as benchmarked against experiments and first-principles calculations. We then apply the model to explain previous experimental observations at other half-Heusler surfaces, including the topological semimetal PtLuSb and the half-metallic ferromagnet NiMnSb. The model provides a simple framework for understanding and predicting the surface structure and properties of these novel quantum materials.
Kawasaki, J. K., Sharan, A., Johansson, L. I. M., Hjort, M., Timm, R., Thiagarajan, B., Schultz, B. D., Mikkelsen, A., Janotti, A., Palmstrom, C. J.
American Association for the Advancement of Science (AAAS)
2375-2548
23752548
shingle_catch_all_2 A simple electron counting model for half-Heusler surfaces
Heusler compounds are a ripe platform for discovery and manipulation of emergent properties in topological and magnetic heterostructures. In these applications, the surfaces and interfaces are critical to performance; however, little is known about the atomic-scale structure of Heusler surfaces and interfaces or why they reconstruct. Using a combination of molecular beam epitaxy, core-level and angle-resolved photoemission, scanning tunneling microscopy, and density functional theory, we map the phase diagram and determine the atomic and electronic structures for several surface reconstructions of CoTiSb (001), a prototypical semiconducting half-Heusler. At low Sb coverage, the surface is characterized by Sb-Sb dimers and Ti vacancies, while, at high Sb coverage, an adlayer of Sb forms. The driving forces for reconstruction are charge neutrality and minimizing the number of Sb dangling bonds, which form metallic surface states within the bulk bandgap. We develop a simple electron counting model that explains the atomic and electronic structure, as benchmarked against experiments and first-principles calculations. We then apply the model to explain previous experimental observations at other half-Heusler surfaces, including the topological semimetal PtLuSb and the half-metallic ferromagnet NiMnSb. The model provides a simple framework for understanding and predicting the surface structure and properties of these novel quantum materials.
Kawasaki, J. K., Sharan, A., Johansson, L. I. M., Hjort, M., Timm, R., Thiagarajan, B., Schultz, B. D., Mikkelsen, A., Janotti, A., Palmstrom, C. J.
American Association for the Advancement of Science (AAAS)
2375-2548
23752548
shingle_catch_all_3 A simple electron counting model for half-Heusler surfaces
Heusler compounds are a ripe platform for discovery and manipulation of emergent properties in topological and magnetic heterostructures. In these applications, the surfaces and interfaces are critical to performance; however, little is known about the atomic-scale structure of Heusler surfaces and interfaces or why they reconstruct. Using a combination of molecular beam epitaxy, core-level and angle-resolved photoemission, scanning tunneling microscopy, and density functional theory, we map the phase diagram and determine the atomic and electronic structures for several surface reconstructions of CoTiSb (001), a prototypical semiconducting half-Heusler. At low Sb coverage, the surface is characterized by Sb-Sb dimers and Ti vacancies, while, at high Sb coverage, an adlayer of Sb forms. The driving forces for reconstruction are charge neutrality and minimizing the number of Sb dangling bonds, which form metallic surface states within the bulk bandgap. We develop a simple electron counting model that explains the atomic and electronic structure, as benchmarked against experiments and first-principles calculations. We then apply the model to explain previous experimental observations at other half-Heusler surfaces, including the topological semimetal PtLuSb and the half-metallic ferromagnet NiMnSb. The model provides a simple framework for understanding and predicting the surface structure and properties of these novel quantum materials.
Kawasaki, J. K., Sharan, A., Johansson, L. I. M., Hjort, M., Timm, R., Thiagarajan, B., Schultz, B. D., Mikkelsen, A., Janotti, A., Palmstrom, C. J.
American Association for the Advancement of Science (AAAS)
2375-2548
23752548
shingle_catch_all_4 A simple electron counting model for half-Heusler surfaces
Heusler compounds are a ripe platform for discovery and manipulation of emergent properties in topological and magnetic heterostructures. In these applications, the surfaces and interfaces are critical to performance; however, little is known about the atomic-scale structure of Heusler surfaces and interfaces or why they reconstruct. Using a combination of molecular beam epitaxy, core-level and angle-resolved photoemission, scanning tunneling microscopy, and density functional theory, we map the phase diagram and determine the atomic and electronic structures for several surface reconstructions of CoTiSb (001), a prototypical semiconducting half-Heusler. At low Sb coverage, the surface is characterized by Sb-Sb dimers and Ti vacancies, while, at high Sb coverage, an adlayer of Sb forms. The driving forces for reconstruction are charge neutrality and minimizing the number of Sb dangling bonds, which form metallic surface states within the bulk bandgap. We develop a simple electron counting model that explains the atomic and electronic structure, as benchmarked against experiments and first-principles calculations. We then apply the model to explain previous experimental observations at other half-Heusler surfaces, including the topological semimetal PtLuSb and the half-metallic ferromagnet NiMnSb. The model provides a simple framework for understanding and predicting the surface structure and properties of these novel quantum materials.
Kawasaki, J. K., Sharan, A., Johansson, L. I. M., Hjort, M., Timm, R., Thiagarajan, B., Schultz, B. D., Mikkelsen, A., Janotti, A., Palmstrom, C. J.
American Association for the Advancement of Science (AAAS)
2375-2548
23752548
shingle_title_1 A simple electron counting model for half-Heusler surfaces
shingle_title_2 A simple electron counting model for half-Heusler surfaces
shingle_title_3 A simple electron counting model for half-Heusler surfaces
shingle_title_4 A simple electron counting model for half-Heusler surfaces
timestamp 2025-06-30T23:35:18.305Z
titel A simple electron counting model for half-Heusler surfaces
titel_suche A simple electron counting model for half-Heusler surfaces
topic TA-TD
uid ipn_articles_6274595