Overview
Personal Profile
Stephan Lany is a computational and theoretical scientist with a background in first-principles calculations for materials physics and chemistry. His research activities have covered a wide range of materials from semiconductors to transition metal oxides to topological semimetals. His research combines the power of density-functional and electronic structure calculations from first principles with methods and approaches in defect theory, thermodynamics and statistical mechanics, machine learning, and materials design and discovery.
Research Interests
Alloy and defect theory
Crystal structure prediction for bulk and interfaces
Electronic structure for complex systems
Energy and quantum materials
Materials design and discovery
Thermochemistry
Professional Experience
Postdoctoral Researcher, NLR (2003–2006)
Teaching and Research Assistant, Universität des Saarlandes (1998–2003)
Education/Academic Qualification
PhD, Physics, Universität des Saarlandes
Master, Physics, Universität des Saarlandes
Fingerprint
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Collaborations and Top Research Areas From the Past 5 Years
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Heterostructural Interface Engineering for Ultrawide Gap Nitrides From First Principles: TaC/AlN and TaC/GaN Rocksalt-Wurtzite Interfaces: Article No. 054044
Mahatara, S. & Lany, S., 2024, In: Physical Review Applied. 22, 5, 11 p.Research output: Contribution to journal › Article › peer-review
1 Scopus Citations -
Chemical Potential Analysis as an Alternative to the van't Hoff Method: Hypothetical Limits of Solar Thermochemical Hydrogen
Lany, S., 2024, In: Journal of the American Chemical Society. 146, 20, p. 14114-14127 14 p.Research output: Contribution to journal › Article › peer-review
17 Scopus Citations -
Band Energy Dependence of Defect Formation in the Topological Semimetal Cd3As2
Brooks, C., van Schilfgaarde, M., Pashov, D., Nelson, J., Alberi, K., Dessau, D. & Lany, S., 1 Jun 2023, In: Physical Review B. 107, 22, 7 p., 224110.Research output: Contribution to journal › Article › peer-review
7 Scopus Citations -
Atomically Thin Interlayer Phase from First Principles Enables Defect-Free Incommensurate SnO2/CdTe Interface: Article No. 041411
Sharan, A., Nardone, M., Krasikov, D., Singh, N. & Lany, S., 2022, In: Applied Physics Reviews. 9, 4, 10 p.Research output: Contribution to journal › Article › peer-review
6 Scopus Citations -
Perfect Short-Range Ordered Alloy with Line-Compound-Like Properties in the ZnSnN2:ZnO System: Article No. 63
Pan, J., Cordell, J., Tucker, G., Zakutayev, A., Tamboli, A. & Lany, S., 2020, In: npj Computational Materials. 6, 1, 6 p., 63.Research output: Contribution to journal › Article › peer-review
Open Access22 Scopus Citations
Activities
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American Chemical Society (External organization)
Ginley, D. (Member), Ware, L. (Member), Allen, B. (Fellow), Rumbles, G. (Member), Perkins, C. (Member), Johnson, D. (Member), Ferrell, J. (Member), Arellano Trevino, M. (Member), Neale, N. (Member), Bell, R. (Member), Klein, R. (Member), Aubry, T. (Member), Bharadwaj, V. (Member), Wieliczka, B. (Member), Hermosilla Palacios, A. (Member), Puente-Urbina, A. (Member), Maughan, A. (Member), Wiley, S. (Member), Kluherz, T. (Member), Kurtz, S. (Member), Schichtl, Z. (Member), Dong, Y. (Member), Thodika, M. (Member), Carvalho, Q. (Member), Truong, T. (Member), Clarke, R. (Member), Kiani, D. (Member), Lee, M. (Member), McGeehan, J. (Member), Brady, N. (Member), Yang, B. (Member), Nozik, A. (Member), Pennell, S. (Member), Wu, I. (Member), Lany, S. (Member) & Myers, A. (Member)
0001Activity: Membership › Membership of network
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American Physical Society (External organization)
Rose, A. (Member), Green, P. (Fellow), Dupuis, D. (Member), Roberts, D. (Member), Yadav, G. (Member), Leahy, I. (Member), Cordell, J. (Member), Hassanaly, M. (Member), Smaha, R. (Member), White, R. (Member), Klein, R. (Member), Eichstaedt, C. (Member), Marder, S. (Fellow), Griffin, K. (Member), Ahrenkiel, R. (Fellow), Mahatara, S. (Member), Spurgeon, S. (Member), Nozik, A. (Fellow), Lany, S. (Member) & Clarke, A. (Member)
0001Activity: Membership › Membership of network
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Materials Research Society, MRS (External organization)
Ginley, D. (Member), Rose, A. (Member), Green, P. (Fellow), Roberts, D. (Member), Cordell, J. (Member), Young, J. L. (Member), Jungjohann, K. (Member), Dutta, N. (Member), Smaha, R. (Member), Bell, R. (Member), Aubry, T. (Member), Kang, A. (Member), Egbo, K. (Member), Marder, S. (Fellow), Kluherz, T. (Member), Quadir, S. (Member), Schichtl, Z. (Member), Smeaton, M. (Member), Tellekamp, B. (Member), Spurgeon, S. (Member), Norman, A. (Member), Nozik, A. (Member), Dinh, H. (Member), Lany, S. (Member), Xie, C. (Member), Kocher, J. (Member), Bhardwaj, R. K. (Member) & Harrison, K. (Member)
0001Activity: Membership › Membership of network