Results 71 to 80 of about 5,374 (207)

3d-electron induced magnetic phase transition in half-metallic semi-Heusler alloys [PDF]

, 2008
We study the effect of the non-magnetic 3\textit{d} atoms on the magnetic properties of the half-metallic (HM) semi-Heusler alloys Co$_{1-x}$Cu$_{x}$MnSb and Ni$_{1-x}$Cu$_{x}$MnSb ($0 \leq x \leq 1$) using first-principles calculations. We determine the
E. Şaşıoğlu, I. Galanakis, K. Özdoğan, P. J. Webster   +3 more
core   +2 more sources

Advances in Thermoelectric Thin Films Grown by Atomic Layer Deposition: A Critical Review of Performance and Challenges

Advanced Energy Materials, EarlyView.
This review highlights the use of atomic layer deposition (ALD) for fabricating thermoelectric thin films with atomic‐scale control. Four material classes—chalcogenides, doped oxides, ternary oxides, and multilayered structures—are compared in terms of growth dynamics, structure–property relationships, and thermoelectric performance. The precise tuning
Jorge Luis Vazquez‐Arce, Dong‐Ho Shin, Shuyue Yao, Shiyang He, Kornelius Nielsch, Amin Bahrami   +5 more
wiley   +1 more source

First principle study of electronic, magnetic and thermoelectric properties of Co2YPb (Y = Tc, Ti, Zr and Hf) full Heusler: Application to embedded automotive systems

Condensed Matter Physics
In this study, theoretical investigation on structural, electronic, magnetic, elastic and thermoelectric properties of the full Heusler Co2YPb (Y = Tc, Ti, Zr and Hf) alloys have been performed within density functional theory (DFT).
N. Saidi, A. Abbad, W. Benstaali, K. Bahnes   +3 more
doaj   +1 more source

Large thermoelectric power factor from crystal symmetry-protected non-bonding orbital in half-Heuslers

Nature Communications, 2018
The intrinsic origin of high-power factors observed in half-Heusler alloys remains elusive, limiting the design of new thermoelectric materials. In this work, the authors reveal it is due to weakened electron–acoustic phonon coupling, originating from ...
Jiawei Zhou, Hangtian Zhu, Te-Huan Liu, Qichen Song, Ran He, Jun Mao, Zihang Liu, Wuyang Ren, Bolin Liao, David J. Singh, Zhifeng Ren, Gang Chen   +11 more
doaj   +1 more source

Inspecting the electronic structure and thermoelectric power factor of novel p-type half-Heuslers

Scientific Reports, 2021
In line for semiconducting electronic properties, we systematically scrutinize the likely to be grown half-Heusler compounds XTaZ (X = Pd, Pt and Z = Al, Ga, In) for their stability and thermoelectric properties.
Shakeel Ahmad Khandy
doaj   +1 more source

Accelerated Screening of Halide Double Perovskites via Hybrid Density Functional Theory and Machine Learning for Thermoelectric Energy Conversion

Advanced Energy and Sustainability Research, EarlyView.
This study integrates hybrid density functional theory, Boltzmann transport theory, and machine learning to accelerate the discovery of lead‐free halide double perovskites for thermoelectric energy conversion. By screening 102 compounds, the authors identify high‐performing candidates such as Rb2GeI6 and Cs2SnBr6, offering a sustainable pathway toward ...
Souraya Goumri‐Said, Ghouti Abdellaoui, Mohammed Benali Kanoun   +2 more
wiley   +1 more source

Mechanical properties of Heusler alloys

Heliyon, 2019
Heusler alloys have been a significant topic of research due to their unique electronic structure, which exhibits half-metallicity, and a wide variety of properties such as magneto-calorics, thermoelectrics, and magnetic shape memory effects.
Wesley Everhart, Joseph Newkirk
doaj   +1 more source

Half-metallicity and Slater-Pauling behavior in the ferromagnetic Heusler alloys

, 2004
Introductory chapter for the book "Halfmetallic Alloys - Fundamentals and Applications" to be published in the series Springer Lecture Notes on Physics, P. H. Dederichs and I. Galanakis (eds).
A. Debernardi, A. Kimura, A. Stroppa, A.R. Williams, Akinaga, B.R.K. Nanda, Bach, Boeck, C.N. Borca, C.N. Borca, C.T. Tanaka, C.T. Tanaka, Caballero, Caballero, Caruso, D. Brown, D. Jung, D. Orgassa, E. Sasioglou, F. Heusler, F.B. Mancoff, Felser, Feng, G.A. Wijs, G.L. Bona, Galanakis, Geiersbach, Giapintzakis, H. Akai, H. Kato, Hill, I. Galanakis, I. Galanakis, I. Galanakis, I. Galanakis, I. Galanakis, I. Galanakis, I. Žutić, Inomata, Ishida, J. Kübler, J. Kübler, J. Kübler, J. Pierre, J.-H. Park, J.C. Suits, Jones, K. Watanabe, K. Westerholt, K.A. Kilian, K.R.A. Ziebeck, Kämmerer, L. Chioncel, M. Horne, M.M. Kirillova, Mavropoulos, Mazin, Mijnarends, Miura, N. Papanikolaou, P. Larson, P.G. van Engen, P.J. Brown, Picozzi, R. Kelekar, R. Zeller, R. Zeller, R.A. de Groot, R.A. de Groot, R.J. Soulen Jr., Raphael, Ritchie, Roy, S. Datta, S. Fujii, S. Fujii, S. Ishida, S. Picozzi, S. Picozzi, S.H. Vosko, S.J. Jenkins, S.J. Jenkins, S.K. Clowes, Skomski, T. Shishidou, Tobola, W. Pendl, W. Zhu, Webster, Wolf, Yablonskikh, Yang, Zhang, Zhao   +93 more
core   +1 more source

Isoelectronic Alloying in Zintl Phases Mediated the Avoided Crossing and Phonon Softening

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
A small amount of Hf doping endows Zr3Ni3Sb4‐Zintl with an unusually low thermal conductivity far exceeding that of similar systems. Two unique phonon mechanisms—avoided crossing and phonon softening—significantly suppress the lattice thermal conductivity. The average thermoelectric figure of merit is improved by 21%.
Zesong Wang, Xiang Wei, Ran Guo, Shun Han, Weihong Gao, Yu‐dong Fu, Zihang Liu   +6 more
wiley   +1 more source

Engineering the electronic, magnetic and gap-related properties of the quinternary half-metallic Heusler alloys

, 2007
We review the electronic and magnetic properties of the quinternary full Heusler alloys of the type Co$_2$[Cr$_{1-x}$Mn$_x$][Al$_{1-y}$Si$_y$] employing three different approaches : (i) the coherent potential approximation (CPA), (ii) the virtual crystal
Galanakis, I., Ozdogan, K., Sasioglu, E.
core   +1 more source