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Probing the Limit of Heat Transfer in Inorganic Crystals with Deep Learning
Jielan Li, Zekun Chen, Qian Wang +21
Heat transfer is a fundamental property of matter. Research spanning decades has attempted to discover materials with exceptional thermal conductivity, yet the upper limit remains…
High Pressure Structural Behavior of Silicon Telluride (Si2Te3) Nanoplates
Bohan Li, Frank Cerasoli, Ethan Chen +3
The high-pressure behavior of silicon telluride (Si2Te3), a two-dimensional (2D) layered material, was investigated using synchrotron X-ray powder diffraction in a diamond anvil ce…
Elastic moduli and thermal conductivity of quantum materials at finite temperature
Dylan A. Folkner, Zekun Chen, Giuseppe Barbalinardo +2
We describe a theoretical and computational approach to calculate the vibrational, elastic, and thermal properties of materials from the low-temperature quantum regime to the high-…
Effects of colored disorder on the heat conductivity of SiGe alloys from first principles
Alfredo Fiorentino, Paolo Pegolo, Stefano Baroni +1
Semiconducting alloys, in particular SiGe, have been employed for several decades as high-temperature thermoelectric materials. Devising strategies to reduce their thermal conducti…