Results 41 to 50 of about 5,374 (207)

Electronic and magnetic properties of Half Heusler alloy NiCrSi

Himalayan Journal of Science and Technology, 2022
Utilizing the Quantum Espresso Package and the plane wave pseudopotential approach, the electrical and magnetic characteristics of the Half Heusler alloy NiCrSi have been investigated.Ultrasoft pseudo-potential is used for this calculation. Through our calculation, it was revealed that NiCrSi is a half-metallic ferromagnet in nature with a bandgap of 0.
Bishartha Manandhar, Prem Sagar Dahal, Sashi Nepal, Anisha Baral   +3 more
openaire   +1 more source

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

Advanced 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

Conventional Half-Heusler alloys advance state-of-the-art thermoelectric properties

Materials Today Physics, 2022
Half-Heusler (HH) phases have garnered much attention as thermally stable and non-toxic thermoelectric materials for power conversion. The most studied alloys to date utilize Hf, Zr, and Ti as the base components. These alloys can achieve a moderate dimensionless figure of merit, ZT, near 1.
Mousumi Mitra, Allen Benton, Md Sabbir Akhanda, Jie Qi, Mona Zebarjadi, David J. Singh, S. Joseph Poon   +6 more
openaire   +2 more sources

Active Learning‐Guided Accelerated Discovery of Ultra‐Efficient High‐Entropy Thermoelectrics

Advanced Materials, EarlyView.
An active learning framework is introduced for the accelerated discovery of high‐entropy chalcogenides with superior thermoelectric performance. Only 80 targeted syntheses, selected from 16206 possible combinations, led to three high‐performance compositions, demonstrating the remarkable efficiency of data‐driven guidance in experimental materials ...
Hanhwi Jang, Wooseok Lee, Hwa‐Jung Kim, Sohyang Cha, Hosun Shin, Won Bo Lee, Min‐Wook Oh, Yeon Sik Jung, YongJoo Kim   +8 more
wiley   +1 more source

Role of defects and disorder in the half-metallic full-Heusler compounds

, 2007
Half-metallic ferromagnets and especially the full-Heusler alloys containing Co are at the center of scientific research due to their potential applications in spintronics.
A Bergmann, A Continenza, A Stroppa, B Sanyal, BG Liu, C Hordequin, C Jiang, CT Tanaka, CY Fong, E asıoğlu, E asıoğlu, F Heusler, H Akai, H Akinaga, H Itoh, H Kato, H van Leuken, HM Kandpal, I Galanakis, I Galanakis, I Galanakis, I Galanakis, I Galanakis, I Galanakis, I Galanakis, I Galanakis, I Galanakis, I Galanakis, I Galanakis, I Galanakis, I Galanakis, I Galanakis, I Galanakis, I Galanakis, I. Galanakis, J Grabis, J Grabis, J Pierre, J Schmalhorst, J Tobola, J Tobola, J Tobola, J-C Zheng, J-H Park, JA Caballero, JE Pask, JH Zhao, JH Zhao, JP Perdew, K Koepernik, K Koepernik, K Ono, K Watanabe, KA Kilian, KÖ zdoğan, KÖ zdoğan, KÖ zdoğan, KÖ zdoğan, KÖ zdoğan, M Horne, M Kallmayer, M Ležaić, M Mizuguchi, M Mizuguchi, M Mizuguchi, M Nagao, M Sargolzaei, M Shirai, M Shirai, M Zhang, P Hohenberg, P Mavropoulos, P Mavropoulos, P Mavropoulos, PH Dederichs, R Weht, RA de Groot, RA de Groot, RJ Soulen Jr., S Datta, S Ishida, S Ishida, S Kämmerer, S Picozzi, S Picozzi, S Sanvitom, T Shishidou, W Kohn, W-H Xie, W-H Xie, XY Dong, Y Miura, Y Sakuraba, Y Yoshida, YQ Xu   +94 more
core   +1 more source

LEAD: Literature Enhanced Ab Initio Discovery of Nitride Dusting Layers for Enhanced Tunnel Magnetoresistance and Lower Resistance Magnetic Tunnel Junctions

Advanced Materials, EarlyView.
Magnetic tunnel junctions (MTJs) using MgO tunnel barriers face challenges of high resistance‐area product and low tunnel magnetoresistance (TMR). To discover alternative materials, Literature Enhanced Ab initio Discovery (LEAD) is developed. The LEAD‐predicted materials are theoretically evaluated, showing that MTJs with dusting of ScN or TiN on ...
Sabiq Islam, William S. Rogers, Chen‐Yu Hu, Ming‐Yuan Song, Xinyu Bao, Shehrin Sayed, Jean Anne C. Incorvia   +6 more
wiley   +1 more source

Theoretical Study of the Electronic Properties of X2YZ (X = Fe, Co; Y = Zr, Mo; Z = Ge, Sb) Ternary Heusler: Abinitio Study

Annals of West University of Timisoara: Physics, 2020
In the purpose of exploring new Heusler alloys with different magnetic applications, we have employed first principles calculations method within density functional theory. After checking the structural stability of X2YZ Heusler alloys (X = Fe, Co; Y =Zr,
Maafa A., Rozale H., Oughilas A., Boubaça A., Amar A., Lucache D.   +5 more
doaj   +1 more source

Prediction of structural, electronic and magnetic properties of full Heusler alloys Ir2YSi (Y = Sc, Ti, V, Cr, Mn, Fe, Co, and Ni) via first-principles calculation

AIP Advances, 2021
First principles electronic structural calculation of full Heusler alloys Ir2YSi (Y= Sc to Ni) in the L21 (Cu2MnAl) and Xa (Hg2CuTi) structures have been studied using full-potential linearized augmented plane wave method (FP-LAPW) based on density ...
Roshme Prakash, G. Kalpana
doaj   +1 more source

Effect of doping and disorder on the half-metallicity of full Heusler alloy

, 2006
Heusler alloys containing Co and Mn are amongst the most heavily studied half-metallic ferromagnets for future applications in spintronics. Using state-of-the-art electronic structure calculations, we investigate the effect of doping and disorder on ...
Aktas, B., Galanakis, I., Ozdogan, K., Sasioglu, E.   +3 more
core   +1 more source

Competition of L21 and XA Ordering in Fe2CoAl Heusler Alloy: A First-Principles Study

, 2020
The physical properties of Fe2CoAl (FCA) Heusler alloy are systematically investigated using the first-principles calculations within generalized gradient approximation (GGA) and GGA+U.
Ahmad, Aquil, Das, A. K., Srivastava, S. K.   +2 more
core   +1 more source