246 citations · 882 across the 18 of their papers we have counts for
11 papers · 1 filter
Lattice dynamics of disordered phases of silicon and spatially resolved computations of thermal conductivity
A. Gautam, C. Ugwumadu, L. A. M. Rosset +3
The lattice dynamics of disordered systems (amorphous solids, polymers and glasses) are often distinct from crystalline analogues. Examples include the "two-level systems" and the…
Site-projected Thermal Conductivity: Application to defects, interfaces, and homogeneously disordered materials
A. Gautam, Y. G. Lee, C. Ugwumadu +3
With the rapid advance of high-performance computing and electronic technologies, understanding thermal conductivity in materials has become increasingly important. This study pres…
Identification of novel organic ferroelectrics: A study combining importance sampling with machine learning
Ayana Ghosh, Dennis P. Trujillo, Subhashis Hazarika +5
Recent advances in the synthesis of polar molecular materials have produced practical alternatives to ferroelectric ceramics, opening up exciting new avenues for their incorporatio…
Understanding Magnetic Properties of Actinide-Based Compounds from Machine Learning
Ayana Ghosh, Filip Ronning, Serge Nakhmanson +1
Actinide and lanthanide-based materials display exotic properties that originate from the presence of itinerant or localized f-electrons and include unconventional superconductivit…
Room-temperature relaxor ferroelectricity and photovoltaic effects in SnTiOx/Si thin film heterostructures
Radhe Agarwal, Yogesh Sharma, Siliang Chang +8
We have studied ferroelectricity and photovoltaic effects in atomic layer deposited (ALD) 40-nm thick SnTiO films deposited directly onto p-type (001)Si substrate. These film…
Giant optical enhancement of strain gradient in ferroelectric thin films and its physics origin
Yuelin Li, Carolina Adamo, Pice Chen +9
The coupling between strain gradients and polarization, known as flexoelectricity, offers a new mechanism to control the functionality of dielectric materials. However, for the eff…