Results 101 to 110 of about 12,284 (247)
By adjusting Ga's doping in Cu–Sn alloy, an ultra‐high elongation of 100.8% is achieved in first time. Ga forms a stable solid solution structure and a stronger electron exchange with Cu. This enhances strength‐ductility synergistically by tuning SFE to balance twinning and slip.
Dazhuo Song +15 more
wiley +1 more source
Machine Learning Discovery of Record‐Low Lattice Thermal Conductivity in Double Perovskites
A deep learning interatomic potential is introduced to predict forces for computing phonon properties and thermal transport behavior in double perovskites. Screening 9,709 compounds identifies 1,597 stable materials, and Boltzmann transport calculations including both three and four‐phonon scattering suggests a record‐low lattice thermal conductivity ...
Md Zaibul Anam +3 more
wiley +1 more source
Thermal transport in smooth‐interface superlattices is studied using the phonon Wigner transport equation, which captures both particle‐like and wave‐like contributions. A minimum in cross‐plane thermal conductivity emerges with increasing period thickness, signaling a crossover from coherent to incoherent phonon transport.
Jin Yang +3 more
wiley +1 more source
This study demonstrates a strain‐tunable anomalous Hall response in the (110)‐oriented FeRh thin film. First‐principles calculations reveal that strain‐induced symmetry lowering redistributes Berry curvature near the Fermi level via band shifts and avoided crossings.
Yun‐Ho Kim +11 more
wiley +1 more source
A novel “Cu‐mediated interstitial site engineering” strategy is introduced to thermodynamically stabilize hexagonal oxygen (hex‐O) configurations in oxygen‐containing titanium alloys. The hex‐O configuration activates multiple slip systems and enhances dislocation pinning via long‐range repulsion.
Xiaobin Lin +14 more
wiley +1 more source
Boosting Photo‐Pyroelectric Effect via Tunable Polarization and Interfacial Defect Engineering
This study reports Ba(Ti0.85Zr0.15)O3 nanocatalysts with enhanced polarization and oxygen‐vacancy‐rich interfaces for efficient NIR‐II photo‐pyroelectric therapy. Zr doping boosts the pyroelectric coefficient and accelerates polarization switching, while oxygen vacancies improve photothermal conversion and surface reactivity.
Yanli Huang +13 more
wiley +1 more source
Semiconducting THO‐C3N Monolayers for Ultrahigh Anisotropic Carrier Mobility
A precise site‐specific N‐doping strategy that drives a secondary electronic transition in net W is proposed, enabling the electronic properties transition from metal to Dirac semimetal and ultimately to semiconductor. The obtained THO‐C3N‐2 and THO‐C3N‐3 semiconductors exhibit high carrier mobilities and pronounced mobility anisotropy, with THO‐C3N‐2 ...
Rui Tan +7 more
wiley +1 more source
Finding a Bravais lattice with higher symmetry from lattice parameters of a supercell
We present an advanced algorithm that systematically identifies Bravais lattices from diffraction data, such as powder X-ray, as these data are crucial for new material development.
Yoyo Hinuma, Hiroyuki Ozaki
doaj +1 more source
Phase Diagrams and Piezoelectric Properties of Wurtzite Al1−x−yScxGdyN Heterostructural Alloys
This study demonstrates ferroelectricity and piezoelectric properties improvement of quaternary wurtzite Al1−x−yScxGdyN${\rm Al}_{1-x-y}{\rm Sc}_x{\rm Gd}_y{\rm N}$ films, guided by density functional theory calculations. Wurtzite Al1−x−yScxGdyN${\rm Al}_{1-x-y}{\rm Sc}_x{\rm Gd}_y{\rm N}$ films have a high optical bandgap, enhanced piezoelectric ...
Julia L. Martin +11 more
wiley +1 more source
Ferroelectric phase stability in Hf₀.5Zr₀.5O2 films is enhanced by confinement to the (111) crystal orientation, as demonstrated by first‐principles calculations and experiments. Polarization approaching its maximum value is achieved through selective ferroelectric switching paths, which are further tuned by oxygen vacancies and cation doping to ...
Fatoye Sawyerr +14 more
wiley +1 more source

