Electronic, magnetic, and structural properties of the ferrimagnet Mn<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow /><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>CoSn

Winterlik, Jürgen; Fecher, Gerhard H.; Balke, Benjamin; Graf, Tanja; Alijani, Vajiheh; Ksenofontov, Vadim; Jenkins, Catherine; Meshcheriakova, O.; Felser, Claudia; Liu, Guodong; Ueda, Shigenori; Kobayashi, Keisuke; Nakamura, Tetsuya; Wójcik, Marek J.

doi:10.1103/physrevb.83.174448

Cited by 55 publications

(28 citation statements)

References 44 publications

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“…This result may be compared to the conclusion in references [12,40,[51][52][53][54][55][56] that the XA structure is energetically preferred to the L2 1 structure when the atomic number of the Y element is the larger than the atomic number of X. Although this hypothesis is consistent with some experimental observations [37,38,40,57,58], it does not seem to be generally valid because more than two thirds of the systems in our data set (all of which satisfy N Y > N X ) have lower calculated energy as L2 1 .…”

Section: B Determination Of the Relaxed Structuresupporting

confidence: 88%

“…This band structure allows both electrons and holes to be excited simultaneously carrying 100% spin polarized current -potentially with high mo-bility. Recently, the existence of some inverse-Heuslers has been confirmed by experiment [36][37][38]. Additionally, it has been experimentally verified that Mn 2 CoAl is an SGS with high Curie temperature [28].…”

Section: Introductionmentioning

confidence: 83%

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Computational investigation of inverse Heusler compounds for spintronics applications

Mazumdar

et al. 2018

Phys. Rev. B

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First-principles calculations of the electronic structure, magnetism and structural stability of inverse-Heusler compounds with the chemical formula X2YZ are presented and discussed with a goal of identifying compounds of interest for spintronics. Compounds for which the number of electrons per atom for Y exceed that for X and for which X is one of Sc, Ti, V, Cr, Mn, Fe, Co, Ni, or Cu; Y is one of Ti, V, Cr, Mn, Fe, Co, Ni, Cu, or Zn; and Z is one of Al, Ga, In, Si, Ge, Sn, P, As or Sb were considered. The formation energy per atom of each compound was calculated. By comparing our calculated formation energies to those calculated for phases in the Inorganic Crystal Structure Database (ICSD) of observed phases, we estimate that inverse-Heuslers with formation energies within 0.052 eV/atom of the calculated convex hull are reasonably likely to be synthesizable in equilibrium. The observed trends in the formation energy and relative structural stability as the X, Y and Z elements vary are described. In addition to the Slater-Pauling gap after 12 states per formula unit in one of the spin channels, inverse-Heusler phases often have gaps after 9 states or 14 states. We describe the origin and occurrence of these gaps. We identify 14 inverse-Heusler semiconductors, 51 half-metals and 50 near half-metals with negative formation energy. In addition, our calculations predict 4 half-metals and 6 near half-metals to lie close to the respective convex hull of stable phases, and thus may be experimentally realized under suitable synthesis conditions, resulting in potential candidates for future spintronics applications.

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Section: B Determination Of the Relaxed Structuresupporting

confidence: 88%

Section: Introductionmentioning

confidence: 83%

Computational investigation of inverse Heusler compounds for spintronics applications

Mazumdar

et al. 2018

Phys. Rev. B

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“…1a) the refinement has been performed with a hexagonal space group P63/mmc, which gives the lattice parameters a = 5:34 Å and c = 4:32 Å. The structure matches to the typical D0 19 hexagonal unit cell as expected. Similarly, for the 700 K annealed sample (Fig.…”

mentioning

confidence: 56%

“…at 7 T. This indicates a normal ferrimagnetic ordering as observed in other Mn rich compounds. 19,20 In tetragonal phase the sample shows a H C of only 0.27 T.…”

mentioning

confidence: 99%

Exchange bias up to room temperature in antiferromagnetic hexagonal Mn₃Ge

Qian¹,

Nayak²,

Kreiner³

et al. 2014

J. Phys. D: Appl. Phys.

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This work reports an exchange bias (EB) effect up to room temperature in the binary intermetallic bulk compound Mn 3.04 Ge 0.96 . The sample annealed at 700 K crystallizes in a tetragonal structure with ferromagnetic ordering, whereas, the sample annealed at 1073 K crystallizes in a hexagonal structure with antiferromagnetic ordering. The hexagonal Mn 3.04 Ge 0.96 sample exhibits an EB of around 70 mT at 2 K that continues with a non-zero value up to room temperature. The exchange anisotropy is proposed to be originating from the exchange interaction between the triangular antiferromagnetic host and the embedded ferrimagnetic like clusters. The ferrimagnetic clusters develop when excess Mn atoms occupy empty Ge sites in the original triangular antiferromagnet structure of Mn 3 Ge.PACS numbers: 75.60. Ej, 75.30.Gw, 72.15.Jf, 75.50.Cc Binary Heusler compounds Mn3Z, containing man-ganese with a main group element Z, exhibit various structural and magnetic properties.

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“…However, in all cases, characterized by powder neutron diffraction or Mößbauer investigations, an inverse type of structure was found but with a disorder of the transition metals. For example, Mößbauer investigations on Mn 2 CoSn46 show that Mn fully occupies the 4 b site, while the remaining Mn and Co atoms randomly occupy the 4 d and 4 c sites in F $\bar{4}$ 3 m in a mixed fashion. Thus, these sites have become indistinguishable.…”

Section: Resultsmentioning

confidence: 99%

Ferrocene‐Modified Carbon Nitride for Direct Oxidation of Benzene to Phenol with Visible Light

2014

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Ferrocene moieties were heterogenized onto carbon nitride polymers by a covalent -C=N- linkage bridging the two conjugation systems, enabling the merging of the redox function of ferrocene with carbon nitride photocatalysis to construct a heterogeneous Photo-Fenton system for green organocatalysis at neutral conditions. The synergistic donor-acceptor interaction between the carbon nitride matrix and ferrocene group, improved exciton splitting, and coupled photocatalytic performance allowed the direct synthesis of phenol from benzene in the presence of H2 O2 under visible light irradiation. This innovative modification method will offer an avenue to construct functionalized two-dimensional polymers useful also for other green synthesis processes using solar irradiation.

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Electronic, magnetic, and structural properties of the ferrimagnet Mn2CoSn

Cited by 55 publications

References 44 publications

Computational investigation of inverse Heusler compounds for spintronics applications

Computational investigation of inverse Heusler compounds for spintronics applications

Exchange bias up to room temperature in antiferromagnetic hexagonal Mn₃Ge

Ferrocene‐Modified Carbon Nitride for Direct Oxidation of Benzene to Phenol with Visible Light

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Electronic, magnetic, and structural properties of the ferrimagnet Mn2CoSn

Cited by 55 publications

References 44 publications

Computational investigation of inverse Heusler compounds for spintronics applications

Computational investigation of inverse Heusler compounds for spintronics applications

Exchange bias up to room temperature in antiferromagnetic hexagonal Mn3Ge

Ferrocene‐Modified Carbon Nitride for Direct Oxidation of Benzene to Phenol with Visible Light

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Exchange bias up to room temperature in antiferromagnetic hexagonal Mn₃Ge