41 citations · 81 across the 10 of their papers we have counts for
6 papers · 1 filter
Depth-resolved profile of the interfacial ferromagnetism in superlattices
J. R. Paudel, A. Mansouri Tehrani, M. Terilli +10
Emergent magnetic phenomena at interfaces represent a frontier in materials science, pivotal for advancing technologies in spintronics and magnetic storage. In this letter, we util…
Exploring energy landscapes of charge multipoles using constrained density functional theory
Luca Schaufelberger, Maximilian E. Merkel, Aria Mansouri Tehrani +2
We present a method to constrain local charge multipoles within density-functional theory. Such multipoles quantify the anisotropy of the local charge distribution around atomic si…
Charge multipoles correlations and order in CsTaCl
Aria Mansouri Tehrani, Jian-Rui Soh, Jana Pásztorová +4
We examine the role of charge, structural, and spin degrees of freedom in the previously poorly understood phase transition in the 5 transition-metal double perovskite CsT…
Physics-guided descriptors for prediction of structural polymorphs
Bastien F. Grosso, Nicola A. Spaldin, Aria Mansouri Tehrani
We develop a method combining machine learning (ML) and density functional theory (DFT) to predict low-energy polymorphs by introducing physics-guided descriptors based on structur…
An unconventional mechanism for simultaneous high hardness and ductility in MoBC
Aria Mansouri Tehrani, Amber Lim, Jakoah Brgoch
Materials either have a high hardness or excellent ductility, but rarely both at the same time. MoBC is one of the only crystalline materials that simultaneously has a high Vic…
Influencing the Martensitic Phase Transformation in NiTi through Point Defects
Aria Mansouri Tehrani, Hamidreza Shahrokhshahi, Nader Parvin +1
Equiatomic nickle-titanium (NiTi) is investigated to determine the consequences of point defects on the Martensitic phase transformation. Using molecular dynamics (MD) simulations,…