Investigation of Structural, Electronic, and Dynamic Properties of Half‐Heusler Alloys XCuB (X = Ti, Zr) by First Principles Calculations
Sign Up to like & getrecommendations! Published in 2020 at "Crystal Research and Technology"
DOI: 10.1002/crat.202000116
Abstract: In order to find out the structural, electronic, and dynamic properties of TiCuB and ZrCuB half‐Heusler alloys, density functional theory within the generalized gradient approximation is used by Quantum Espresso package program. The lattice parameters,… read more here.
Keywords: dynamic properties; heusler alloys; electronic dynamic; structural electronic ... See more keywords
New Quaternary Half-Metallic Materials of the Zt − 28 Rule in LiMgPdSn-Type Heusler Alloys
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Superconductivity and Novel Magnetism"
DOI: 10.1007/s10948-017-4280-5
Abstract: This paper presents first-principles calculations with the full-potential linearized augmented plane-wave method to study a series of LiMgPdSn-type Heusler alloys. The chemical formula is XX′YZ, where X = Fe, Co, or Ni; X′ = Mn;… read more here.
Keywords: half metallic; type heusler; heusler alloys; half ... See more keywords
Study of the Electronic Structure, Magnetic and Elastic Properties and Half-Metallic Stability on Variation of Lattice Constants for CoFeCrZ (Z = P, As, Sb) Heusler Alloys
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Superconductivity and Novel Magnetism"
DOI: 10.1007/s10948-017-4460-3
Abstract: Structural, elastic, magnetic and electronic properties of CoFeCrZ (Z = P, As, Sb) Heusler alloys in their YI-type structure have been computed by density functional theory-based WIEN2k code within generalized gradient approximation for exchange correlation… read more here.
Keywords: half metallic; cofecrz heusler; heusler alloys; structure ... See more keywords
Theoretical Investigation of Structural, Electronic, Magnetic, and Mechanical Properties of Quaternary Heusler Alloys CoVTiX (X = As, Si)
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Superconductivity and Novel Magnetism"
DOI: 10.1007/s10948-018-4614-y
Abstract: The structural, electronic, magnetic, and mechanical properties of CoVTiAs and CoVTiSi quaternary Heusler alloys are studied using the full-potential linearized augmented plane-wave (FP-LAPW) method in the framework of the density functional theory (DFT). The generalized… read more here.
Keywords: quaternary heusler; structural electronic; heusler alloys; mechanical properties ... See more keywords
Theoretical investigation of structural and magnetic properties of MnTiX (X = Si, Ge, Se, Te) half-Heusler alloys
Sign Up to like & getrecommendations! Published in 2020 at "Indian Journal of Physics"
DOI: 10.1007/s12648-020-01739-x
Abstract: The structural, electronic, and magnetic properties of half-Heusler alloys (HHAs) MnTiX ( X = Si, Ge, Se, Te) are studied using full potential linearized augmented plane wave (FP-LAPW) method as implemented in Wien2k code which is… read more here.
Keywords: heusler alloys; magnetic properties; half heusler; theoretical investigation ... See more keywords
Theoretical insight of stabilities and optoelectronic features of Ru-based Heusler alloys: Ab-initio calculations
Sign Up to like & getrecommendations! Published in 2021 at "Computational Condensed Matter"
DOI: 10.1016/j.cocom.2021.e00573
Abstract: Abstract Herein, the structural, elastic, electronic, and optical properties of Ru2TiSi and Ru2VAl Heusler alloys (HAs) compounds were calculated using the pseudopotential scheme within GGA + U approach. The obtained equilibrium ground states of properties were compared… read more here.
Keywords: stabilities optoelectronic; heusler alloys; theoretical insight; optoelectronic features ... See more keywords
Atomic ordering and magnetic properties of quaternary Heusler alloys NiCuMnZ (Z=In, Sn, Sb)
Sign Up to like & getrecommendations! Published in 2017 at "Intermetallics"
DOI: 10.1016/j.intermet.2017.03.020
Abstract: Abstract A series of quaternary Heusler alloys NiCuMnZ (Z = In, Sn, Sb) have been prepared experimentally. Their structural and magnetic properties have been investigated by XRD, magnetic measurements and first-principles calculations. NiCuMnZ all crystallize in a… read more here.
Keywords: quaternary heusler; heusler; heusler alloys; magnetic properties ... See more keywords
Structure and inverse magnetocaloric effect in Ni-Co-Mn-Sn(Si) Heusler alloys
Sign Up to like & getrecommendations! Published in 2018 at "Intermetallics"
DOI: 10.1016/j.intermet.2018.06.004
Abstract: Abstract In the presented work, a systematic study of crystal structure, microstructure, magneto-structural behavior and inverse magnetocaloric effect in the Ni 44 Co 6 Mn 39 Sn 11-x Si x (x = 1, 2 at.%) Heusler alloys, obtained… read more here.
Keywords: inverse magnetocaloric; effect heusler; heusler alloys; magnetocaloric effect ... See more keywords
Decoupling of the phase transitions and its effect on the magnetocaloric properties of Heusler alloys
Sign Up to like & getrecommendations! Published in 2021 at "Intermetallics"
DOI: 10.1016/j.intermet.2021.107322
Abstract: Abstract The phase transitions and associated magnetic entropy changes in the Ni2Mn0.70Cu0.30Ga Heusler alloy have been investigated. A tetragonal crystal structure was observed at room temperature, and upon heating, the material exhibited a partially coupled… read more here.
Keywords: heusler alloys; properties heusler; phase transitions; magnetocaloric properties ... See more keywords
Insight into half-metallicity, spin-polarization and mechanical properties of L21 structured MnY2Z (Z= Al, Si, Ga, Ge, Sn, Sb) Heusler alloys
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2017.11.239
Abstract: Abstract We have investigated electronic structure, magnetism and mechanical properties of L21 structured Heusler alloys within the framework of First-principles method. Highly spin-polarized calculations are used to analyze the structural phase stability, magnetism, mechanical behavior… read more here.
Keywords: heusler alloys; polarization; l21 structured; mechanical properties ... See more keywords
Reversible magnetocaloric effect and critical exponent analysis in Mn-Fe-Ni-Sn Heusler alloys
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2018.02.269
Abstract: Abstract We report the magnetic and magnetocaloric properties of Mn48-xFexNi41Sn11 (x = 8.5, 10.5) Heusler alloys. The temperature dependent magnetization curve (M vs T curve) reveals that these alloys show only second order ferromagnetic (FM) to paramagnetic… read more here.
Keywords: heusler; effect critical; reversible magnetocaloric; heusler alloys ... See more keywords