100 citations · 511 across the 17 of their papers we have counts for
13 papers · 1 filter
Constrained Diffusion for Accelerated Structure Relaxation of Inorganic Solids with Point Defects
Jingyi Cui, Jacob K. Christopher, Ankita Biswas +2
Point defects affect material properties by altering electronic states and modifying local bonding environments. However, high-throughput first-principles simulations of point defe…
Towards "on-demand" van der Waals epitaxy with adaptive ensemble sampling atomistic workflows
Soumendu Bagchi, Ankita Biswas, Prasanna V. Balachandran +2
Traditional approaches to achieve targeted epitaxial growth involves exploring a vast parameter space of thermodynamical and kinetic drivers (e.g., temperature, pressure, chemical…
High thermoelectric power factor in Ni-Fe alloy for active cooling applications
Shuai Li, Sree Sourav Das, Haobo Wang +5
Metallic thermoelectric materials are promising candidates for active cooling applications, where high thermal conductivity and a high thermoelectric power factor are essential to…
Observation of helimagnetism in the candidate ferroelectric CrI
John A. Schneeloch, Shunshun Liu, Prasanna V. Balachandran +2
CrI is a quasi-one dimensional (1D) van der Waals (vdW) system that exhibits helimagnetism that propagates along the ribbons. This was determined from neutron time-of-flight…
An Atomically Tailored Chiral Magnet with Small Skyrmions at Room Temperature
Tao Liu, Camelia M. Selcu, Binbin Wang +15
Creating materials that do not exist in nature can lead to breakthroughs in science and technology. Magnetic skyrmions are topological excitations that have attracted great attenti…
Integrating Machine Learning with Mechanistic Models for Predicting the Yield Strength of High Entropy Alloys
Shunshun Liu, Kyungtae Lee, Prasanna V. Balachandran
Accelerating the design of materials with targeted properties is one of the key materials informatics tasks. The most common approach takes a data-driven motivation, where the unde…
Phase Classification of Multi-Principal Element Alloys via Interpretable Machine Learning
Kyungtae Lee, Mukil Ayyasamy, Paige Delsa +2
There is intense interest in uncovering design rules that govern the formation of various structural phases as a function of chemical composition in multi-principal element alloys…
Tuning Dzyaloshinskii-Moriya Interaction in Ferrimagnetic GdCo: A First Principles Approach
Md Golam Morshed, Khoong Hong Khoo, Yassine Quessab +5
We present a systematic analysis of our ability to tune chiral Dzyaloshinskii-Moriya Interactions (DMI) in compensated ferrimagnetic Pt/GdCo/Pt1-xWx trilayers by cap layer composit…
Computing and Memory Technologies based on Magnetic Skyrmions
Hamed Vakili, Wei Zhou, Chung T Ma +13
Solitonic magnetic excitations such as domain walls and, specifically, skyrmionics enable the possibility of compact, high density, ultrafast,all-electronic, low-energy devices, wh…
Rare-earth-free ferrimagnetic Mn4N sub-20 nm thin films as high-temperature spintronic material
W. Zhou, C. T. Ma, T. Q. Hartnett +2
Ferrimagnetic alloy thin films that exhibit perpendicular (out-of-plane) magnetic anisotropy (PMA) with low saturation magnetization, such as GdCo and Mn4N, were predicted to be fa…
Magnetic Damping in Epitaxial Fe Alloyed with Vanadium and Aluminum
David A. Smith, Anish Rai, Youngmin Lim +12
To develop low-moment, low-damping metallic ferromagnets for power-efficient spintronic devices, it is crucial to understand how magnetic relaxation is impacted by the addition of…
Conductivity-Like Gilbert Damping due to Intraband Scattering in Epitaxial Iron
Behrouz Khodadadi, Anish Rai, Arjun Sapkota +15
Confirming the origin of Gilbert damping by experiment has remained a challenge for many decades, even for simple ferromagnetic metals. In this Letter, we experimentally identify G…
Interplay of octahedral rotations and breathing distortions in charge ordering perovskite oxides
Prasanna V. Balachandran, James M. Rondinelli
We investigate the structure--property relationships in O perovskites exhibiting octahedral rotations and cooperative octahedral breathing distortions (CBD) using group the…