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cond-mat.mtrl-sci2026
Local distortions as a source of piezoelectric/stiffness decoupling in B-doped AlScN
Laszlo Wolf, Geoff L. Brennecka, Vladan StevanoviÄ
We present a first-principles analysis of the wurtzite pseudo-ternary (Al,Sc,B)N to elucidate the structural origin of a decoupling between stiffness and piezoelectric res…
cond-mat.mtrl-sci2025
First-principles study of the phase competition, mechanical and piezoelectric properties of pseudo-binary (SiC)(AlN) alloy
Laszlo Wolf, Geoff L. Brennecka, Vladan StevanoviÄ
The ongoing search for new piezoelectric materials offering adequate balance between piezoelectric response and other application-relevant properties has lead to the investigation…
cond-mat.mtrl-sci2025
Modeling glasses from first-principles using random structure sampling
Laszlo Wolf, Andrew Novick, Vladan StevanoviÄ
We present an approach to approximating static properties of glasses without experimental inputs rooted in the first-principles random structure sampling. In our approach, the glas…