Discovery of Ternary Antimonides A–Al–Sb (A= Rb or Cs) with Desired Structural Motifs Guided by Machine Learning
B Owens-Baird, V Gvozdetskyi, A Sarkar… - Chemistry of …, 2024 - ACS Publications
Specific structural motifs in inorganic solids are often related to their targeted physical
properties. For many classes of solids, such as Zintl phases and polar intermetallics, the …
properties. For many classes of solids, such as Zintl phases and polar intermetallics, the …
Ternary Zinc Antimonides Unlocked Using Hydride Synthesis
V Gvozdetskyi, SJ Lee, B Owens-Baird… - Inorganic …, 2021 - ACS Publications
Three new sodium zinc antimonides Na11Zn2Sb5, Na4Zn9Sb9, and NaZn3Sb3 were
synthesized utilizing sodium hydride NaH as a reactive sodium source. In comparison to the …
synthesized utilizing sodium hydride NaH as a reactive sodium source. In comparison to the …
Large-Gap and Topological Crystalline Insulating Phase in RbZnBi and CsZnBi
Topological insulators (TIs) are a new class of materials with gapless boundary states inside
the bulk insulating gap. This metallic boundary state hosts intriguing phenomena such as …
the bulk insulating gap. This metallic boundary state hosts intriguing phenomena such as …
First-principles predictions of low lattice thermal conductivity and high thermoelectric performance of AZnSb (A= Rb, Cs)
E Haque - RSC advances, 2021 - pubs.rsc.org
Here, two compounds, AZnSb (A= Rb, Cs), have been predicted to be potential materials for
thermoelectric device applications at high temperatures by using first-principles calculations …
thermoelectric device applications at high temperatures by using first-principles calculations …
How to Look for Compounds: Predictive Screening and in situ Studies in Na− Zn− Bi System
Here, the combination of theoretical computations followed by rapid experimental screening
and in situ diffraction studies is demonstrated as a powerful strategy for novel compounds …
and in situ diffraction studies is demonstrated as a powerful strategy for novel compounds …
Crystal structure and physical properties of AePd1-xP1+ x (Ae= Ca, Sr)
We report the discovery of two new compounds AePd 1-x P 1+ x (Ae= Ca, Sr) crystallized in
different hexagonal structures. Single crystals of AePd 1-x P 1+ x (Ae= Ca, Sr) are obtained …
different hexagonal structures. Single crystals of AePd 1-x P 1+ x (Ae= Ca, Sr) are obtained …