First-principles predictions of the structural, electronic, optical and elastic properties of the zintl-phases AE3GaAs3 (AE= Sr, Ba)

A Khireddine, A Bouhemadou, S Alnujaim, N Guechi… - Solid State …, 2021 - Elsevier
Highlights•The fundamental physical properties of Sr 3/Ba 3 GaAs 3 are explored.•They are
mechanically stable with moderate stiffness and a significant elastic anisotropy.•They are …

Trivalent europium–a scarce case in intermetallics

S Engel, ECJ Gießelmann, R Pöttgen… - Reviews in Inorganic …, 2023 - degruyter.com
In most intermetallic europium compounds, the Eu atoms exhibit a divalent oxidation state
with a high effective magnetic moment since Eu2+ is isoelectronic with Gd3+. Trivalent …

The Potential of Arsenic‐based Zintl Phases as Thermoelectric Materials: Structure & Thermoelectric Properties

MM Islam, SM Kauzlarich - Zeitschrift für anorganische und …, 2023 - Wiley Online Library
Zintl phase thermoelectric materials have generated tremendous interest due to possessing
structural features conducive to high thermoelectric performances. On the other hand, both …

Colossal magnetoresistance in a nonsymmorphic antiferromagnetic insulator

P Rosa, Y Xu, M Rahn, J Souza, S Kushwaha… - npj Quantum …, 2020 - nature.com
Here we investigate antiferromagnetic Eu5In2Sb6, a nonsymmorphic Zintl phase. Our
electrical transport data show that Eu5In2Sb6 is remarkably insulating and exhibits an …

Engineering magnetic topological insulators in Zintl compounds

N Varnava, T Berry, TM McQueen, D Vanderbilt - Physical Review B, 2022 - APS
Magnetic topological insulators provide a prominent material platform for quantum
anomalous Hall physics and axion electrodynamics. However, the lack of material …

n-Type narrow band gap A3InAs3 (A = Sr and Eu) Zintl phase semiconductors for optoelectronic and thermoelectric applications

ZM Elqahtani, S Aman, S Mehmood, Z Ali… - Journal of Taibah …, 2022 - Taylor & Francis
Optoelectronic and thermoelectric properties of A3InAs3 (A= Sr and Eu) Zintl compounds are
investigated using FP-LAPW method with LDA, GGA and mBJ potentials for Sr3InAs3 in …

Observation of an Unexpected n-Type Semiconducting Behavior in the New Ternary Zintl Phase Eu3InAs3

K Rajput, S Baranets, S Bobev - Chemistry of Materials, 2020 - ACS Publications
The ternary arsenides Eu3InAs3 and Sr3InAs3 have been obtained by reactions of the
elements in In flux at 1373 K. Structure elucidation by single-crystal X-ray diffraction reveals …

An ab initio analysis of the electronic, optical, and thermoelectric characteristics of the Zintl phase CsGaSb2

S Al-Essa, SS Essaoud, A Bouhemadou… - Physica …, 2024 - iopscience.iop.org
We present and analyze the findings of a comprehensive ab initio computation that
examines the electronic, optical, and thermoelectric characteristics of a recently synthesized …

Structural diversity of the Zintl pnictides with rare-earth metals

S Baranets, A Ovchinnikov, S Bobev - … on the Physics and Chemistry of …, 2021 - Elsevier
Zintl phases have been purely a laboratory curiosity for decades, recently becoming a
familiar subject in many research topics of practical importance, such as thermoelectrics for …

Structure, Magnetic, Opto-electronic and thermoelectric properties of A3In2As4 and A5In2As6 (A= Sr and Eu) Zintl phase compounds

TA Taha, S Mehmood, Z Ali, SR Khan, S Aman… - Journal of Alloys and …, 2023 - Elsevier
Structural, electronic, optical, thermoelectric and magnetic properties of A 3 In 2 As 4 and A 5
In 2 As 6 (A= Eu and Sr) Zintl phase compounds in orthorhombic (Pnma and Pbam) phases …