Results 41 to 50 of about 5,301 (199)

Theoretical study of the structural stability, electronic and magnetic properties of XVSb (X $=$ Fe, Ni, and Co) half-Heusler compounds [PDF]

open access: yes, 2018
The structural, electronic and magnetic properties of half-Heusler compounds XVSb (X $=$ Fe, Co and Ni) are investigated by using the density functional theory with generalized gradient approximation (GGA), and Tran-Blaha modified Becke-Johnson (TB-mBJ ...
Benabdellah, G.   +5 more
core   +1 more source

Ferromagnetic half-metallicity in half-Heusler AuMnSn:Te Alloy

open access: yesMaterials Research Express, 2020
Identifying a strategy for beneficial band-engineering is vital for the optimization of spintronic materials. In this study, we demonstrate the beneficial effects of electron doping on ferromagnetic (FM) half-Heusler AuMnSn _1− _x Te _x (0 ≤  x  ≤ 1 ...
T C Chibueze   +4 more
doaj   +1 more source

A half-metallic half-Heusler alloy having the largest atomic-like magnetic moment at optimized lattice constant

open access: yesAIP Advances, 2016
For half-Heusler alloys, the general formula is XYZ, where X can be a transition or alkali metal element, Y is another transition metal element, typically Mn or Cr, and Z is a group IV element or a pnicitide.
R. L. Zhang   +5 more
doaj   +1 more source

Design and discovery of a novel Half-Heusler transparent hole conductor made of all-metallic heavy elements [PDF]

open access: yes, 2014
Metallic conductors that are optically transparent represent a rare breed of generally contraindicated physical properties that are nevertheless critically needed for application where both functionalities are crucial.
Mason, Thomas O.   +6 more
core   +1 more source

Search for Thermoelectrics with High Figure of Merit in half-Heusler compounds with multinary substitution

open access: yes, 2017
In order to improve the thermoelectric performance of TiCoSb we have substituted 50% of Ti equally with Zr and Hf at Ti site and Sb with Sn and Se equally at Sb site.
Choudhary, Mukesh K., Ravindran, P
core   +1 more source

Universal Electronic‐Structure Relationship Governing Intrinsic Magnetic Properties in Permanent Magnets

open access: yesAdvanced Functional Materials, EarlyView.
Permanent magnets derive their extraordinary strength from deep, universal electronic‐structure principles that control magnetization, anisotropy, and intrinsic performance. This work uncovers those governing rules, examines modern modeling and AI‐driven discovery methods, identifies critical bottlenecks, and reveals electronic fingerprints shared ...
Prashant Singh
wiley   +1 more source

Half-Heusler Compounds as a New Class of Three-Dimensional Topological Insulators

open access: yes, 2010
Using first-principles calculations within density functional theory, we explore the feasibility of converting ternary half-Heusler compounds into a new class of three-dimensional topological insulators (3DTI).
D. J. Singh   +9 more
core   +1 more source

2D Magnetic and Topological Quantum Materials and Devices for Ultralow Power Spintronics

open access: yesAdvanced Functional Materials, EarlyView.
2D magnets and topological quantum materials enable ultralow‐power spintronics by combining robust magnetic order with symmetry‐protected, Berry‐curvature‐driven transport. Fundamentals of 2D anisotropy and spin‐orbit‐coupling induced band inversion are linked to scalable growth and vdW stacking.
Brahmdutta Dixit   +5 more
wiley   +1 more source

Unsupervised machine learning for discovery of promising half-Heusler thermoelectric materials

open access: yesnpj Computational Materials, 2022
Thermoelectric materials can be potentially applied to waste heat recovery and solid-state cooling because they allow a direct energy conversion between heat and electricity and vice versa.
Xue Jia   +14 more
doaj   +1 more source

Prediction of triple point fermions in simple half-Heusler topological insulators

open access: yes, 2017
We predict the existence of triple point fermions in the band structure of several half-Heusler topological insulators by $ab~initio$ calculations and the Kane model.
Felser, Claudia   +5 more
core   +1 more source

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