Half-metallic ferrimagnetism in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Mn</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mi mathvariant="normal">VAl</mml:mi></mml:math>

Weht, Ruben; Pickett, Warren E.

doi:10.1103/physrevb.60.13006

Cited by 226 publications

(117 citation statements)

References 32 publications

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“…L a te r num erous first-principle electronic stru c tu re investigations of th e H M F have been carried o u t (see, e.g., recent pap ers [27,28,29,30] an d a review of early w orks in Ref. [2]).…”

Section: F Irst-p Rin Cip Le C a Lcu La Tio N S O F N O N Q U A Sip Amentioning

confidence: 99%

Non-quasiparticle effects in half-metallic ferromagnets

Irkhin

Katsnelson

Lichtenstein

2007

J. Phys.: Condens. Matter

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The unusual electronic structure of the half-metallic ferromagnets (HMF) is analysed taking account of correlation effects (electron–magnon interaction, in particular spin-polaron effects). Special attention is paid to the so-called non-quasiparticle (NQP) (incoherent) states which arise in the minority- (majority-) spin gap above (below) the Fermi level and which may make considerable contributions to the electronic properties. First-principles calculations of the NQP states in HMF within the local-density approximation plus dynamical mean field theory (LDA+DMFT) are reviewed. These states can be probed, in particular, by spin-polarized scanning tunnelling microscopy. They also lead to observable effects in core–hole spectroscopy, nuclear magnetic relaxation and contribute to the temperature dependence of impurity resistivity, etc. The peculiarities of the transport properties of three- and two-dimensional HMF are discussed, which are connected with the absence of one-magnon spin-flip scattering processes.

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Section: F Irst-p Rin Cip Le C a Lcu La Tio N S O F N O N Q U A Sip Amentioning

confidence: 99%

Non-quasiparticle effects in half-metallic ferromagnets

Irkhin

Katsnelson

Lichtenstein

2007

J. Phys.: Condens. Matter

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“…The crystalline structure typical for half-Heusler materials is the non-centrosymmetric cubic structure C1 b ; Heusler (1903); Webster et al (1988), while full-Heusler alloys crystallize in the cubic space group with Cu 2 M nAl (L2 1 ) prototype Heusler (1903);Webster et al (1988) or Hg 2 CuT i prototype, if the number of 3d electrons of Y atom exceeds that of X 2 atom Kandpal et al (2007). In the last decades, M n 2 , Co 2 , F e 2 or Cr 2 -based Heusler alloys have been widely studied Buschow et al (1981); Chen et al (2006); Kumar et al (2010); Graf et al (2011);Weht et al (1999); Ozdogan et al (2006);Fecher et al (2006); Galanakis et al (2007);ZhongyuYao et al (2010); Luo et al (2007); Li et al (2009), however only few of T i 2 -based full Heusler alloys were investigated Kervan et al (2012); Pugaczowa-Michalska Maria (2012); Kervan et al (2011);Lei et al (2011). In the present paper, the half metallic properties of T i 2 CoSn are theoretically investigation by first-principles calculations of density of states, energy bands, and magnetic moments.…”

Section: Introductionmentioning

confidence: 99%

Half-metallic state and magnetic properties versus the lattice constant in Ti2CoSn Heusler compound: An ab initio study

Birsan

Palade

Kuncser

2012

Solid State Communications

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The half metallic properties of T i 2 CoSn full-Heusler compound is studied within the framework of the density functional theory with the Perdew Burke Ernzerhof generalized gradient approximation (GGA). Structural optimization was performed and the calculated equilibrium lattice constant is 6.340Ȧ. The spin up band of compound has metallic character and spin down band is semiconducting with an indirect gap of 0.598 eV at equilibrium lattice constant. For the lattice parameter, ranging from 6.193 to 6.884Ȧ the compound presents 100% spin polarization and a total magnetic moment of 3µ B .

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“…3 Then, the half-metallic ferromagnets have become one of the most studied classes of materials. [4][5][6][7][8][9][10][11][12][13][14][15] The existence of a gap in the minority-spin band structure leads to the 100% spin polarization of the electron states at the Fermi level and makes these systems attractive for applications in the emerging field of spintronics. Besides the strong spin polarization of the charge carriers, the half-metallic materials should have a crystal structure compatible with the industrially used zinc blende semiconductors and possess a high Curie temperature to allow the applications in the devices operating at room temperature.…”

Section: Introductionmentioning

confidence: 99%

Role of conduction electrons in mediating exchange interactions in Mn-based Heusler alloys

2008

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Because of the large spatial separation of the Mn atoms in Heusler alloys ͑d Mn-Mn Ͼ 4 Å͒, the Mn 3d states belonging to different atoms do not overlap considerably. Therefore, an indirect exchange interaction between Mn atoms should play a crucial role in the ferromagnetism of the systems. To study the nature of the ferromagnetism of various Mn-based semi-and full-Heusler alloys, we perform a systematic first-principles calculation of the exchange interactions in these materials. The calculation of the exchange parameters is based on the frozen-magnon approach. The Curie temperature is estimated within the mean-field approximation. The calculations show that the magnetism of the Mn-based Heusler alloys depends strongly on the number of conduction sp electrons, their spin polarization, and the position of the unoccupied Mn 3d states with respect to the Fermi level. Various magnetic phases are obtained depending on the combination of these characteristics. The magnetic phase diagram is determined at zero temperature. The results of the calculations are in good agreement with available experimental data. Anderson's s-d model is used to perform a qualitative analysis of the obtained results. The conditions leading to a diverse magnetic behavior are identified. If the spin polarization of the conduction electrons at the Fermi energy is large and the unoccupied Mn 3d states lie well above the Fermi level, a Ruderman-Kittel-Kasuya-Yoshida-type ferromagnetic interaction is dominating. On the other hand, the contribution of the antiferromagnetic superexchange becomes important if unoccupied Mn 3d states lie close to the Fermi energy. The resulting magnetic behavior depends on the competition of these two exchange mechanisms. The calculation results are in good correlation with the conclusions made on the basis of the Anderson s-d model which provides useful framework for the analysis of the results of first-principles calculations and helps to formulate the conditions for high Curie temperature.

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Half-metallic ferrimagnetism inMn2VAl

Cited by 226 publications

References 32 publications

Non-quasiparticle effects in half-metallic ferromagnets

Non-quasiparticle effects in half-metallic ferromagnets

Half-metallic state and magnetic properties versus the lattice constant in Ti2CoSn Heusler compound: An ab initio study

Role of conduction electrons in mediating exchange interactions in Mn-based Heusler alloys

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