Results 61 to 70 of about 5,404 (201)

Computational investigation of the Fe2XAs (X = Mn and Co) full Heusler alloy: Structural, electronic, and magnetic properties

Results in Physics, 2023
A comprehensive detailed computational investigation of the structural, electronic, magnetic, and mechanical properties of Fe2XAs (X = Mn and Co) Full Heusler Alloy is performed using density functional theory (DFT).
Bilal Aladerah, Abdalla Obeidat
doaj   +1 more source

Electronic structure of half-metallic magnets

, 2006
We have analyzed the electronic structure of half-metallic magnets based on first principles electronic structure calculations of a series of semi-Heusler alloys. The characteristic feature of the electronic structure of semi-Heusler systems is a d-d gap
Akinaga, Andersen, B.R.K. Nanda, de Groot, Dronskowski, Fang, Galanakis, Hedin, I. Dasgupta, Jung, Kobayashi, Lewis, Matsumoto, Munekata, Nanda, Ohno, Park, Perdew, Pickett, Sarma, Sarma, Soulen, Ueda, von Barth, Zhang, Zutic   +25 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

Lifshitz Transition in Correlated Topological Semimetals

Advanced Science, EarlyView.
Theoretical calculations reveal that in YPtBi and GdPtBi, strong electronic correlations shift topological Dirac nodes away from the Fermi level by forming large hole pockets. This effect is sensitive to temperature and arises from interactions among 4d or 4f electrons, offering insights into Fermi surface engineering in quantum materials.
Byungkyun Kang, Myoung‐Hwan Kim, Chul Hong Park, Anderson Janotti, Eunja Kim   +4 more
wiley   +1 more source

The Electronic, Magnetic, Half-Metallic and Mechanical Properties of the Equiatomic Quaternary Heusler Compounds FeRhCrSi and FePdCrSi: A First-Principles Study

Applied Sciences, 2018
By using the first-principles method, the electronic structures and magnetism of equiatomic quaternary Heusler alloys FeRhCrSi and FePdCrSi were calculated. The results show that both FeRhCrSi and FePdCrSi compounds are ferrimagnets.
Liefeng Feng, Jiannan Ma, Yue Yang, Tingting Lin, Liying Wang   +4 more
doaj   +1 more source

Chromium and iron contained half-Heusler MnNiGe-based alloys

Journal of Magnetism and Magnetic Materials, 2015
Abstract The magnetic characteristics of chromium and iron containing MnNiGe-based alloys with several types of quenching and annealing were investigated. It was found that the quenched Mn0.89Cr0.11NiGe has a spontaneous and magnetic field induced magnetostructural first-order transitions at room temperature. These transitions might be accompanied by
Budzyński, Mieczysław, Valkov, V. I., Golovchan, Aleksei Vitalevich, Kamenev, Viktor Ivanovich, Mitsiuk, Viktor Iosifovich, Sivachenko, Aleksandr Pavlovich, Surowiec, Zbigniew, Tkachenka, Tamara Mikhailovna   +7 more
openaire   +2 more sources

Controlled Moderate Interfacial Reaction Facilitates High‐Strength Low‐Resistivity Barrier Layer for Half‐Heusler Thermoelectrics

Advanced Science, EarlyView.
The barrier layer is designed comprehensively by thermal expansion coefficient and interfacial reaction energy to yield a controlled interfacial reaction. Ultimately, the Co25Fe50Ni25/half‐Heusler joint simultaneously achieves low contact resistivity and high bonding strength.
Jian Liang, Shuyue Tan, Lifeng Jiang, Wen Zhang, Hongda Song, Xinghui Wang, Haiping Guo, Huijun Kang, Rongchun Chen, Enyu Guo, Zongning Chen, Tongmin Wang   +11 more
wiley   +1 more source

Thermoelectric performance of p-type half-Heusler alloys ScMSb (M = Ni, Pd, Pt) by ab initio calculations

, 2018
Structural, electronic, and transport properties of ScNiSb, ScPdSb, and ScPtSb were investigated from first principles. Electronic band structures derived within the fully relativistic MBJLDA approach were compared with those obtained from the standard ...
Bilinska, Kaja, Ciesielski, Kamil, Kaczorowski, Dariusz, Winiarski, Maciej J.   +3 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

Structural, elastic, electronic, and magnetic properties of MnNbZ (Z = As, Sb) and FeNbZ (Z = Sn, Pb) semi-Heusler alloys

Materials Research Express, 2020
The study of structural, electronic, magnetic, and elastic properties of a new series of semi-Heusler alloys MnNbZ (Z = As, Sb) and FeNbZ (Z = Sn, Pb) has been performed by density functional theory.
Dinesh Kumar Yadav, Shalika Ram Bhandari, Gopi Chandra Kaphle   +2 more
doaj   +1 more source