Pressure effect on the magnetic properties of the half-metallic Heusler alloy<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>Co</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:mi>TiSn</mml:mi></mml:mrow></mml:math>

Shigeta, Iduru; Fujimoto, Yutaro; Ooka, Ryutaro; Nishisako, Yuya; Tsujikawa, Motokazu; Umetsu, Rie Y.; Nomura, Akihiro; Miura, Yoshio; Kanomata, T.; Shirai, Masamitsu; Gouchi, Jun; Uwatoko, Yoshiya; Hiroi, Masahiko

doi:10.1103/physrevb.97.104414

Cited by 36 publications

(13 citation statements)

References 61 publications

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“…The robustness of spin-polarization against atomic disorder has been reported for Co-based Heusler alloys. [8][9][10][11][12] As it has been already mentioned, it is very important to discuss the bandstructure along From the above discussion on the bulk phases, we find that these systems could be interesting in further study regarding its junction with MgO along (001) direction.…”

Section: Bulk Phasementioning

confidence: 66%

“…The robustness of spin-polarization against atomic disorder has been reported for Co-based Heusler alloys. [8][9][10][11][12] Figure 2 shows the comparison of stability of the disordered systems (L2 1 ) with respect to that of their ordered configuration (XA). In all the cases, ordered configuration is the most stable configuration and the Mn-Z disorder is the least stable configuration.…”

Section: Bulk Phasementioning

confidence: 99%

“…Another important feature of these Co-based Heusler alloys is their robustness of spin polarization against atomic disorder. [8][9][10][11][12] There have been a significant amount of experimental studies and first-principles calculations on Co-based Heusler alloy/MgO heterojunctions. [13][14][15][16][17][18] Among them, Co 2 MnSi/MgO heterojunction is one of the most studied systems.…”

Section: Introductionmentioning

confidence: 99%

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Ab-initio study of electronic and magnetic properties of CoIrMnZ (Z = Al, Si, Ga, Ge) Heusler alloys

Roy

Tsujikawa

Kanemura

et al. 2020

Journal of Magnetism and Magnetic Materials

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Using first-principles calculations, we studied Mn 2 RuZ (Z=Al, Ga, Si, Ge) and their heterojunctions with MgO along (001) direction. All these alloys possess Hg 2 CuTi-type inverse Heusler alloy structure and ferrimagnetic ground state. Our study reveals the half-metallic electronic structure with highly spin-polarized ∆ 1 band, which is robust against atomic disorder. Next we studied the electronic structure of Mn 2 RuAl/MgO and Mn 2 RuGe/MgO heterojunctions. We found that the MnAl-or MnGe-terminated interface is energetically more favorable compared to the MnRuterminated interface. Interfacial states appear at the Fermi level in the minority-spin gap for the Mn 2 RuGe/MgO junction. We discuss the origin of these interfacial states in terms of local environment around each constituent atom. On the other hand, in the Mn 2 RuAl/MgO junction, high spin polarization of bulk Mn 2 RuAl is preserved independent of its termination.

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Section: Bulk Phasementioning

confidence: 66%

Section: Bulk Phasementioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Ab-initio study of electronic and magnetic properties of CoIrMnZ (Z = Al, Si, Ga, Ge) Heusler alloys

Roy

Tsujikawa

Kanemura

et al. 2020

Journal of Magnetism and Magnetic Materials

Self Cite

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“…Heusler alloys have been a research hotspot for more than 100 years, gaining the attention of researchers due to their excellent properties and wide range of applications. High Curie temperatures (T C ), tunable electronic structure, suitable lattice constants for semiconductors and various magnetic properties (Manna et al, 2018) make Heusler alloys ideal materials for spin-gapless semiconductors (Wang et al, 2018;Bainsla et al, 2015;Gao et al, 2019), half-metallic materials (Shigeta et al, 2018;Khandy et al, 2018) and shape memory alloys (Yu et al, 2015;Odaira et al, 2018;Li et al, 2018a,b;Carpenter & Howard, 2018). Normally, there are three types of Heusler alloys: half-Heusler-type XYZ (Makongo et al, 2011; Anand et al, 2018; Zhang et al, 2016; Hou et al, 2015), full-Heusler-type X 2 YZ (Akriche et al, 2017; Babiker et al, 2017;Li et al, 2018a,b) and the equiatomic quaternary Heusler XYMZ materials (Bahramian & Ahmadian, 2017;Qin et al, 2017;Wang et al, 2017;Feng et al, 2018) with stoichiometry 1:1:1:1, where the X, Y and M atoms are usually transition-metal atoms, whereas the Z atom is a maingroup element.…”

Section: Introductionmentioning

confidence: 99%

Competition between cubic and tetragonal phases in all-d-metal Heusler alloys, X _2−xMn_1+xV (X = Pd, Ni, Pt, Ag, Au, Ir, Co; x = 1, 0): a new potential direction of the Heusler family

Han

Feng

et al. 2019

IUCrJ

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In this work, a series of all-d-metal Heusler alloys, X 2 − x Mn1 + x V (X = Pd, Ni, Pt, Ag, Au, Ir, Co; x; = 1, 0), were predicted by first principles. The series can be roughly divided into two categories: XMn2V (Mn-rich type) and X 2MnV (Mn-poor type). Using optimized structural analysis, it is shown that the ground state of these all-d-metal Heusler alloys does not fully meet the site-preference rule for classic full-Heusler alloys. All the Mn-rich type alloys tend to form the L21 structure, where the two Mn atoms prefer to occupy the A (0, 0, 0) and C (0.5, 0.5, 0.5) Wyckoff sites, whereas for the Mn-poor-type alloys, some are stable with XA structures and some are not. The c/a ratio was also changed while maintaining the volume the same as in the cubic state to investigate the possible tetragonal transformation of these alloys. The Mn-rich Heusler alloys have strong cubic resistance; however, all the Mn-poor alloys prefer to have a tetragonal state instead of a cubic phase through tetragonal transformations. The origin of the tetragonal state and the competition between the cubic and tetragonal phases in Mn-poor alloys are discussed in detail. Results show that broader and shallower density-of-states structures at or in the vicinity of the Fermi level lower the total energy and stabilize the tetragonal phases of X 2MnV (X = Pd, Ni, Pt, Ag, Au, Ir, Co). Furthermore, the lack of virtual frequency in the phonon spectra confirms the stability of the tetragonal states of these Mn-poor all-d-metal Heusler alloys. This work provides relevant experimental guidance in the search for possible martensitic Heusler alloys in all-d-metal materials with less Mn and new spintronic and magnetic intelligent materials among all-d-metal Heusler alloys.

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“…Co 2 TiSn, a Heusler compound that has a high Curie temperature and shows half-metallic behavior [45][46][47][48][49], has been proposed as a WSM candidate [28,40,41]. Co 2 TiSn has 26 valence electrons and has Weyl nodes a few hundred meV above the Fermi energy [28,40,41].…”

Section: Introductionmentioning

confidence: 99%

Role of chemical disorder in tuning the Weyl points in vanadium doped Co$_2$TiSn

Chaudhary,

Dubey,

Shukla

et al. 2021

Preprint

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The lack of time-reversal symmetry and Weyl fermions give exotic transport properties to Cobased Heusler alloys. In the present study, we have investigated the role of chemical disorder on the variation of Weyl points in Co2Ti1-xVxSn magnetic Weyl semimetal candidate. We employ the first principle approach to track the evolution of the nodal lines responsible for the appearance of Weyl node in Co2TiSn as a function of V substitution in place of Ti. By increasing the V concentration in place of Ti, the nodal line moves toward fermi level and remains at Fermi level around the middle composition. Further increase of the V content, leads shifting of nodal line away from Fermi level. Density of state calculation shows half-metallic behavior for the entire range of composition. The magnetic moment on each Co atom as a function of V concentration increases linearly up to x=0.4, and after that, it starts decreasing. The first-principles calculations reveal that via replacing almost half of the Ti with V, the intrinsic anomalous Hall conductivity increased twice as compared to the undoped composition. Our results indicate that the composition close to the 50% V doped Co2TiSn, will be an ideal composition for the experimental investigation of Weyl physics.

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Pressure effect on the magnetic properties of the half-metallic Heusler alloyCo2TiSn

Cited by 36 publications

References 61 publications

Ab-initio study of electronic and magnetic properties of CoIrMnZ (Z = Al, Si, Ga, Ge) Heusler alloys

Ab-initio study of electronic and magnetic properties of CoIrMnZ (Z = Al, Si, Ga, Ge) Heusler alloys

Competition between cubic and tetragonal phases in all-d-metal Heusler alloys, X _2−xMn_1+xV (X = Pd, Ni, Pt, Ag, Au, Ir, Co; x = 1, 0): a new potential direction of the Heusler family

Role of chemical disorder in tuning the Weyl points in vanadium doped Co$_2$TiSn

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Pressure effect on the magnetic properties of the half-metallic Heusler alloyCo2TiSn

Cited by 36 publications

References 61 publications

Ab-initio study of electronic and magnetic properties of CoIrMnZ (Z = Al, Si, Ga, Ge) Heusler alloys

Ab-initio study of electronic and magnetic properties of CoIrMnZ (Z = Al, Si, Ga, Ge) Heusler alloys

Competition between cubic and tetragonal phases in all-d-metal Heusler alloys, X 2−x Mn1+x V (X = Pd, Ni, Pt, Ag, Au, Ir, Co; x = 1, 0): a new potential direction of the Heusler family

Role of chemical disorder in tuning the Weyl points in vanadium doped Co$_2$TiSn

Contact Info

Product

Resources

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Ab-initio study of electronic and magnetic properties of CoIrMnZ (Z = Al, Si, Ga, Ge) Heusler alloys

Ab-initio study of electronic and magnetic properties of CoIrMnZ (Z = Al, Si, Ga, Ge) Heusler alloys

Competition between cubic and tetragonal phases in all-d-metal Heusler alloys, X _2−xMn_1+xV (X = Pd, Ni, Pt, Ag, Au, Ir, Co; x = 1, 0): a new potential direction of the Heusler family