Ti2Mn<i>Z</i> (<i>Z</i>=Al, Ga, In) compounds: Nearly spin gapless semiconductors

Jia, Hai; Dai, Xuefang; Wang, L. Y.; Liu, R.; Wang, X. T.; Li, P. P.; Cui, Yinan; Liu, G. D.

doi:10.1063/1.4871403

Cited by 53 publications

(31 citation statements)

References 18 publications

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“…The SGS character of Ti 2 MnAl was also confirmed by Jia et al 42 Wollman et al 43 confirmed the conclusion of Meinert et al that direct exchange interactions are responsible for the magnetic order in Mn 2 CoAl studying a wide range of Mn 2 -based Heusler compounds and predicted a Curie temperature of 740 K using the spherical approximation. 44 Skaftouros et al have discussed in detail the behavior of the total magnetic moment in inverse Heusler compounds including the SGS materials.…”

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confidence: 72%

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First-principles calculations of exchange interactions, spin waves, and temperature dependence of magnetization in inverse-Heusler-based spin gapless semiconductors

et al. 2015

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Employing first principles electronic structure calculations in conjunction with the frozen-magnon method we calculate exchange interactions, spin-wave dispersion, and spin-wave stiffness constants in inverse-Heusler-based spin gapless semiconductor (SGS) compounds Mn2CoAl, Ti2MnAl, Cr2ZnSi, Ti2CoSi and Ti2VAs. We find that their magnetic behavior is similar to the half-metallic ferromagnetic full-Heusler alloys, i.e., the intersublattice exchange interactions play an essential role in the formation of the magnetic ground state and in determining the Curie temperature, Tc. All compounds, except Ti2CoSi possess a ferrimagnetic ground state. Due to the finite energy gap in one spin channel, the exchange interactions decay sharply with the distance, and hence magnetism of these SGSs can be described considering only nearest and next-nearest neighbor exchange interactions. The calculated spin-wave dispersion curves are typical for ferrimagnets and ferromagnets. The spin-wave stiffness constants turn out to be larger than those of the elementary 3d-ferromagnets. Calculated exchange parameters are used as input to determine the temperature dependence of the magnetization and Tc of the SGSs. We find that the Tc of all compounds is much above the room temperature. The calculated magnetization curve for Mn2CoAl as well as the Curie temperature are in very good agreement with available experimental data. The present study is expected to pave the way for a deeper understanding of the magnetic properties of the inverse-Heusler-based SGSs and enhance the interest in these materials for application in spintronic and magnetoelectronic devices.

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confidence: 72%

“…Finally, we should shortly discuss the values of the atomic spin magnetic moments presented in Table I 42. Since in each study a different full-potential ab-initio method has been used, we can be confident of the validity of our results.…”

Section: A Spin Gapless Semiconducting Behavior and Magnetic Momentsmentioning

confidence: 99%

First-principles calculations of exchange interactions, spin waves, and temperature dependence of magnetization in inverse-Heusler-based spin gapless semiconductors

et al. 2015

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“…2,12 A specific aim of SGS research is to develop materials having compensated ferrimagnetic or antiferromagnetic spin structures, such as half-metallic antiferromagnets (HMAFMs). 3,12,13 Compared to ferromagnetic SGSs, these materials exhibit either small or no net magnetization, which is favorable due to the absence of magnetic stray fields, which could otherwise cause interference between neighboring elements in nanoelectronic devices.…”

mentioning

confidence: 99%

“…Recently, an interesting new class of materials, namely, spin-gapless semiconductors, has attracted much attention due to potential applications in spintronics. [1][2][3][4][5][6] These materials are characterized by a zero band gap in one spin channel and by a finite band gap in the other channel, and therefore are different from ferromagnetic materials with semiconducting electron transport, including dilute magnetic semiconductors, which have long been investigated for semiconductor spintronics. 7,8 Spin-gapless semiconductors (SGS) are attractive because they combine advantages of half-metallic (HM) magnets and zero-gap semiconductors.…”

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Investigation of spin-gapless semiconductivity and half-metallicity in Ti2MnAl-based compounds

Lukashev

Kharel

Gilbert

et al. 2016

Applied Physics Letters

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The increasing interest in spin-based electronics has led to a vigorous search for new materials that can provide a high degree of spin polarization in electron transport. An ideal candidate would act as an insulator for one spin channel and a conductor or semiconductor for the opposite spin channel, corresponding to the respective cases of half-metallicity and spin-gapless semiconductivity. Our first-principle electronic-structure calculations indicate that the metallic Heusler compound Ti2MnAl becomes half-metallic and spin-gapless semiconducting if half of the Al atoms are replaced by Sn and In, respectively. These electronic structures are associated with structural transitions from the regular cubic Heusler structure to the inverted cubic Heusler structure.

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“…The compounds with this peculiar transport property are known as spin gapless semiconductors because exhibit a semiconducting character in one spin channel and zero band gap in the other. Theoretical description of electronic structures and ground-state magnetism of several spin gapless semiconductors were provided via Density Functional Theory (DFT) [27]. Some compounds like Mn 2 CoAl, have been grown as bulk samples or synthesized as thin films [28,29].…”

Section: Introductionmentioning

confidence: 99%

First principle investigations of the structural, electronic and magnetic properties of predicted new zirconium based full-Heusler compounds, Zr2MnZ (Z=Al, Ga and In)

Birsan

Kuncser

2016

Journal of Magnetism and Magnetic Materials

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The crystal structure, electronic and magnetic properties of the new full-Heusler compounds Zr 2 MnZ (Z=Al, Ga, In), were studied within the Density Functional Theory (DFT) framework. The materials exhibit unique properties that connect the spin gapless semiconducting character with the completely compensated ferrimagnetism. In magnetic configurations, Zr 2 MnZ (Z=Al, Ga, In) crystallize in inverse Heusler structure, are stable against decomposition and have zero magnetic moment per formula unit properties, in agreement with Slater-Pauling rule. The Zr 2 MnAl compound presents spin gapless semiconducting properties with a energy band gap of 0.41 eV in the majority spin channel and a zero band gap in the minority spin channel. By substituting Ga or In elements, for Al in Zr 2 MnAl, semiconducting pseudo band gaps are formed in the majority spin channels due to the different neighborhood around the manganese atoms, which decreases the energy of Mn's triple degenerated anti-bonding states.

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Ti2MnZ (Z=Al, Ga, In) compounds: Nearly spin gapless semiconductors

Cited by 53 publications

References 18 publications

First-principles calculations of exchange interactions, spin waves, and temperature dependence of magnetization in inverse-Heusler-based spin gapless semiconductors

First-principles calculations of exchange interactions, spin waves, and temperature dependence of magnetization in inverse-Heusler-based spin gapless semiconductors

Investigation of spin-gapless semiconductivity and half-metallicity in Ti2MnAl-based compounds

First principle investigations of the structural, electronic and magnetic properties of predicted new zirconium based full-Heusler compounds, Zr2MnZ (Z=Al, Ga and In)

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