Electronic structure and half-metallicity of new quaternary Heusler alloys NiFeTiZ (Z=Si, P, Ge, and As)

Karimian, Nashmil; Ahmadian, F.

doi:10.1016/j.ssc.2015.09.005

Cited by 67 publications

(12 citation statements)

References 35 publications

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“…i.e. CoFeMnZ (Z = As and Sb) by Elahmar et al [102], NiFeTiZ (Z= Si, P, Ge and As) by Karimian et al [103], CoFeScZ (Z = P, As and Sb) by Gao et al [104], CoMnTiZ (Z = P, As and Sb) by Khodami et al [105], NiCoCrGa by Gökhan et al [106],VCoHfGa and CrFeHfGa by Yang et al [107], and FeCrMnSb by Mukhtiyar et al [108]. The results of these calculations are summarized in the table 4.…”

Section: G Other Equiatomic Quaternary Heusler Alloysmentioning

confidence: 99%

Equiatomic quaternary Heusler alloys: A material perspective for spintronic applications

Bainsla

Суреш

2016

Applied Physics Reviews

266

104

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Half-metallic ferromagnetic (HMF) materials show high spin polarization and are therefore interesting to researchers due to their possible applications in spintronic devices. In these materials, while one spin sub band has a finite density of states at the Fermi level, the other sub band has a gap. Because of their high Curie temperature (TC) and tunable electronic been reported in a few systems, which are also discussed in this review. Thus, this review presents a consolidated picture of the magnetic and spintronic properties of this important, but relatively new class of Heusler alloys. It is expected that this will stimulate further interest in these alloys, thereby paving the way for the identification of more HMF and SGS materials. As a result of this, it is expected that more efficient spintronic devices using these alloys would emerge in the near future.

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Section: G Other Equiatomic Quaternary Heusler Alloysmentioning

confidence: 99%

Equiatomic quaternary Heusler alloys: A material perspective for spintronic applications

Bainsla

Суреш

2016

Applied Physics Reviews

266

104

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“…Formation energy (E for ) explains about experimentally synthesization of materials as the compounds with negative values are chemically stable and can be easily synthesized. To ensure the phase stability of these alloys, E for is given in Table 2 which was obtained by using the given formula [40]:…”

Section: Structural Stabilitymentioning

confidence: 99%

Theoretical Investigations of Magnetic Properties and Mechanical Stability of Quaternary Heusler Compounds FeYCrZ (Z = Al, Ga, Ge, and Si): a Spin Gapless Semiconductor

Zafar¹,

Abbas

Shakil

et al. 2021

J Supercond Nov Magn

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In this work, full potential linearized augmented plane wave (FP-LAPW) method is used to determine the electronic, magnetic, and mechanical properties of FeYCrZ (Z = Al, Ga, Ge, and Si) equiatomic quaternary Heusler alloys (EQHAs). The calculations have been performed by employing the 1st principle method based on density functional theory (DFT). The exchange correlation (XC) functional Perdew-Burke-Emzerhof (PBE) is used within generalized gradient approximation (GGA). The results of geometry optimization show that type I is the most optimized structure among all the alloys. The outcomes of band diagrams and density of states (DOS) confirmed that FeYCrGe and FeYCrSi have spin gapless semiconductor (SGS) behavior. The other two alloys FeYCrAl and FeYCrGa exhibit metallic nature because there exists overlapping of states at Fermi level (E F ). The calculated energy band gaps (E g ) for FeYCrSi and FeYCrGe in spin up (↑) and spin down (↓) channels are 0.18, 0.08, 0.6, and 0.8 eV, respectively. The d-d hybridization among transition metals (TMs) that originates E g is also discussed. The results of elastic constants confirmed the mechanical stability of given alloys except FeYCrGa because it does not fulfill the born stability criteria. The SGS behavior of FeYCrSi and FeYCrGe alloys has a unique DOS in spin ↑ channel which is discussed in detail. The findings revealed that considered alloys are appropriate for spintronic applications.

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“…In the Cu 2 MnAl phase, the X atoms occupy the Wyckoff positions 4a (0, 0, 0) and 4b (1/2, 1/2, 1/2), Y and Z atoms occupy the Wyckoff positions 4c (1/4, 1/4, 1/4) and 4d (3/4, 3/4, 3/4), respectively. While in the Hg 2 CuTi phase, the X atoms occupy the 4a (0, 0, 0) and 4b (1/4, 1/4, 1/4) positions, Y and Z atoms occupy the 4b (1/2, 1/2, 1/2) and 4d (3/4, 3/4, 3/4) positions, respectively (Ahmadian and Alinajimi, 2013; Karimian and Ahmadian, 2015). From the valence electron configurations of the Y: 4d 1 5s 2 and Cr: 3d 5 4s 1 , we know that the Hg 2 CuTi structure is preferred for the new yttrium-based full-Heusler alloys Y 2 CrZ (Z = Al, Ga and In).…”

Section: Introductionmentioning

confidence: 99%

A Monte Carlo study of the yttrium-based Heusler alloys: Y₂CrGa and YFeCrGa

Idrissi

Ziti

Labrim

et al. 2020

MMMS

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PurposeIn this paper, using Monte Carlo simulations (MCSs) under the metropolis algorithm, the authors study the magnetic properties of the yttrium-based Heusler alloys: Y2CrGa and YFeCrGa. In the first step, the authors elaborate and discuss the ground-state phase diagrams of the more stable configurations. It is worth to note that the full-Heusler alloy Y2CrGa contains only one magnetic atom (Cr), while the quaternary Heusler alloy YFeCrGa has two magnetic atoms (Cr and Fe). This leads to modeling of the compound Y2CrGa by a Hamiltonian containing only one magnetic spin moment (S = 2), while the quaternary Heusler alloy YFeCrGa is modeled by a Hamiltonian containing two magnetic spin moments (Q = 5/2 and s = 2). The results of the study reveal that the critical temperature increases when increasing the reduced crystal field for the two studied compounds. To complete this study, the authors elaborated the hysteresis cycles of the two yttrium-based Heusler alloys: Y2CrGa and YFeCrGa.Design/methodology/approachIn this paper, the authors study the magnetic properties and the critical behavior of the yttrium-based Heusler alloys, Y2CrGa and YFeCrGa, using MCSs under the metropolis algorithm. In the first step, the authors elaborate and discuss the ground-state phase diagrams of the more stable configurations for the both structures at null temperature (T = 0). On the other hand, for non-null temperature (T ≠ 0), the authors investigate the critical behavior of these two yttrium-based Heusler alloys: Y2CrGa and YFeCrGa. It is worth to note that the full-Heusler alloy Y2CrGa contains only one magnetic atom (Cr), while the quaternary Heusler alloy YFeCrGa has two magnetic atoms (Cr and Fe). Hence, the compound Y2CrGa can be modeled by a Hamiltonian containing only one magnetic spin moment (S = 2), while the quaternary Heusler alloy YFeCrGa is modeled by a Hamiltonian containing two magnetic spin moments (Q = 5/2 and s = 2). Moreover, the results of the study reveal that the critical temperature increases when increasing the reduced crystal field for the two studied compounds. To complete this study, the authors elaborated the hysteresis cycles of the two yttrium-based Heusler alloys: Y2CrGa and YFeCrGa.FindingsThe authors elaborate the ground-state phase diagrams of the more stable configurations. It is worth to note that the full-Heusler alloy Y2CrGa contains only one magnetic atom (Cr), while the quaternary Heusler alloy YFeCrGa has two magnetic atoms (Cr and Fe). This leads to modeling of the compound Y2CrGa by a Hamiltonian containing only one magnetic spin moment (S = 2), while the quaternary Heusler alloy YFeCrGa is modeled by a Hamiltonian containing two magnetic spin moments (Q = 5/2 and s = 2). The results of the study reveal that the critical temperature increases when increasing the reduced crystal field for the two studied compounds. To complete this study, the authors elaborated the hysteresis cycles of the two yttrium-based Heusler alloys: Y2CrGa and YFeCrGa.Research limitations/implicationsThe authors elaborate the ground-state phase diagrams of the more stable configurations. It is worth to note that the full-Heusler alloy Y2CrGa contains only one magnetic atom (Cr), while the quaternary Heusler alloy YFeCrGa has two magnetic atoms (Cr and Fe). This leads to modeling of the compound Y2CrGa by a Hamiltonian containing only one magnetic spin moment (S = 2), while the quaternary Heusler alloy YFeCrGa is modeled by a Hamiltonian containing two magnetic spin moments (Q = 5/2 and s = 2). The results of the study reveal that the critical temperature increases when increasing the reduced crystal field for the two studied compounds. To complete this study, the authors elaborated the hysteresis cycles of the two yttrium-based Heusler alloys: Y2CrGa and YFeCrGa.Practical implicationsThe authors elaborate the ground-state phase diagrams of the more stable configurations. It is worth to note that the full-Heusler alloy Y2CrGa contains only one magnetic atom (Cr), while the quaternary Heusler alloy YFeCrGa has two magnetic atoms (Cr and Fe). This leads to modeling of the compound Y2CrGa by a Hamiltonian containing only one magnetic spin moment (S = 2), while the quaternary Heusler alloy YFeCrGa is modeled by a Hamiltonian containing two magnetic spin moments (Q = 5/2 and s = 2). The results of the study reveal that the critical temperature increases when increasing the reduced crystal field for the two studied compounds. To complete this study, the authors elaborated the hysteresis cycles of the two yttrium-based Heusler alloys: Y2CrGa and YFeCrGa.Social implicationsThe authors elaborate the ground-state phase diagrams of the more stable configurations. It is worth to note that the full-Heusler alloy Y2CrGa contains only one magnetic atom (Cr), while the quaternary Heusler alloy YFeCrGa has two magnetic atoms (Cr and Fe). This leads to modeling of the compound Y2CrGa by a Hamiltonian containing only one magnetic spin moment (S = 2), while the quaternary Heusler alloy YFeCrGa is modeled by a Hamiltonian containing two magnetic spin moments (Q = 5/2 and s = 2). The results of the study reveal that the critical temperature increases when increasing the reduced crystal field for the two studied compounds. To complete this study, the authors elaborated the hysteresis cycles of the two yttrium-based Heusler alloys: Y2CrGa and YFeCrGa.Originality/valueThe authors elaborate the ground-state phase diagrams of the more stable configurations. It is worth to note that the full-Heusler alloy Y2CrGa contains only one magnetic atom (Cr), while the quaternary Heusler alloy YFeCrGa has two magnetic atoms (Cr and Fe). This leads to modeling of the compound Y2CrGa by a Hamiltonian containing only one magnetic spin moment (S = 2), while the quaternary Heusler alloy YFeCrGa is modeled by a Hamiltonian containing two magnetic spin moments (Q = 5/2 and s = 2). The results of the study reveal that the critical temperature increases when increasing the reduced crystal field for the two studied compounds. To complete this study, the authors elaborated the hysteresis cycles of the two yttrium-based Heusler alloys: Y2CrGa and YFeCrGa.

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Electronic structure and half-metallicity of new quaternary Heusler alloys NiFeTiZ (Z=Si, P, Ge, and As)

Cited by 67 publications

References 35 publications

Equiatomic quaternary Heusler alloys: A material perspective for spintronic applications

Equiatomic quaternary Heusler alloys: A material perspective for spintronic applications

Theoretical Investigations of Magnetic Properties and Mechanical Stability of Quaternary Heusler Compounds FeYCrZ (Z = Al, Ga, Ge, and Si): a Spin Gapless Semiconductor

A Monte Carlo study of the yttrium-based Heusler alloys: Y₂CrGa and YFeCrGa

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Electronic structure and half-metallicity of new quaternary Heusler alloys NiFeTiZ (Z=Si, P, Ge, and As)

Cited by 67 publications

References 35 publications

Equiatomic quaternary Heusler alloys: A material perspective for spintronic applications

Equiatomic quaternary Heusler alloys: A material perspective for spintronic applications

Theoretical Investigations of Magnetic Properties and Mechanical Stability of Quaternary Heusler Compounds FeYCrZ (Z = Al, Ga, Ge, and Si): a Spin Gapless Semiconductor

A Monte Carlo study of the yttrium-based Heusler alloys: Y2CrGa and YFeCrGa

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A Monte Carlo study of the yttrium-based Heusler alloys: Y₂CrGa and YFeCrGa