Results 61 to 70 of about 5,301 (199)

A first-principles investigation of the thermodynamic and mechanical properties of Ni-Ti-Sn Heusler and half-Heusler materials

, 2013
First principles calculations of the vibrational, thermodynamic and mechanical properties of the Ni-Ti-Sn Heusler and half-Heusler compounds have been performed.
Hermet, P., Jund, P., Niedziolka, K.
core   +3 more sources

Chiral surface superconductivity in half-Heusler semimetals

arXiv, 2022
4 pages + supplementary material, 4 ...
Schwemmer, Tilman, Di Sante, Domenico, Schmalian, Jörg, Thomale, Ronny   +3 more
openaire   +2 more sources

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

Machine Learning Chemical Guidelines for Engineering Electronic Structures in Half-Heusler Thermoelectric Materials

Research, 2020
Half-Heusler materials are strong candidates for thermoelectric applications due to their high weighted mobilities and power factors, which is known to be correlated to valley degeneracy in the electronic band structure.
Maxwell T. Dylla, Alexander Dunn, Shashwat Anand, Anubhav Jain, G. Jeffrey Snyder   +4 more
doaj   +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

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

GGA and GGA Plus U Study of Half-Metallic Quaternary Heusler Compound CoCrScSn

Frontiers in Physics, 2020
The structural, mechanical, electronic, magnetic, and half-metallic properties of quaternary Heusler compound CoCrScSn are studied using the GGA and GGA + U method based on first-principles calculations.
Chuankun Zhang, Haiming Huang, Chengrui Wu, Zhanwu Zhu, Zedong He, Guoying Liu   +5 more
doaj   +1 more source

Half-metallic Characteristics of the Novel Half Heusler Alloys XCrSb (X=Ti, Zr, Hf )

Journal of Nigerian Society of Physical Sciences, 2022
Ab-initio calculations are performed to examine the structural, mechanical, electronic, magnetic and thermodynamic properties of the half-Heusler ternary alloys XCrSb (X = H f , Ti, Zr).
Benjamin Iyorzor, Michael Babalola
doaj   +1 more source

Introduction to half-metallic Heusler alloys: Electronic Structure and Magnetic Properties

, 2005
Intermetallic Heusler alloys are amongst the most attractive half-metallic systems due to the high Curie temperatures and the structural similarity to the binary semiconductors.
Galanakis I, Galanakis I, Hedin L, Heusler F, Horne M, I Galanakis, Ishida S, Kirillova M N, Ležaić M, Ležaić M Mavropoulos Ph Enkovaara J Bihlmayer G Blügel S, Lue C S, Mavropoulos Ph, Mavropoulos Ph, Nagao K, Nanda B R K, Nanda B R K, P H Dederichs, Papanikolaou N, Pendl W, Ph Mavropoulos, Shirai M Miura Y Nagao K, Tobola J, Webster P J, Xu Y Q, Zeller R, Zhang M   +25 more
core   +2 more sources

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