Two-dimensional chromium pnictides 
<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>Cr</mml:mi><mml:mi>X</mml:mi><mml:mo> </mml:mo><mml:mo>(</mml:mo><mml:mi>X</mml:mi><mml:mtext>=P</mml:mtext><mml:mo>,</mml:mo><mml:mi>As</mml:mi><mml:mo>,</mml:mo><mml:mi>Sb</mml:mi><mml:mo>)</mml:mo></mml:math>
: Half-metallic ferromagnets with high Curie temperature

Moğulkoç, A.; Modarresi, M.; Руденко, А. Н.

doi:10.1103/physrevb.102.024441

Cited by 57 publications

(36 citation statements)

References 58 publications

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“…We then obtain the optimized lattice constants a [see Fig. 1(a)] of 3.88, 3.94, 4.39, and 4.58 Å for CrP, CrAs, CrSb, and CrBi, respectively, in good agreement with available data in the literature [34,35]. With the optimized geometry data, we can calculate the ground-state electronic structures of monolayer CrX.…”

Section: Methodssupporting

confidence: 72%

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Spin-tunable thermoelectric performance in monolayer chromium pnictides

Muntini,

Suprayoga,

Wella

et al. 2021

Preprint

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Historically, finding two-dimensional (2D) magnets is well known to be a difficult task due to instability against thermal spin fluctuations. Metals are also normally considered poor thermoelectric (TE) materials. Combining intrinsic magnetism in two dimensions with conducting properties, one may expect to get the worst for thermoelectrics. However, we will show this is not always the case. Here, we investigate spin-dependent TE properties of monolayer chromium pnictides (CrX, where X = P, As, Sb, and Bi) using first-principles calculations of electrons and phonons, along with Boltzmann transport formalism under energy-dependent relaxation time approximation. All the CrX monolayers are dynamically stable and they also exhibit half metallicity with ferromagnetic ordering. Using the spin-valve setup with antiparallel spin configuration, the half metallicity and ferromagnetism in monolayer CrX enable manipulation of spin degrees of freedom to tune the TE figure of merit (ZT ). At optimized chemical potential and operating temperature of 500 K, the maximum ZT values (≈ 0.22, 0.12, and 0.09) with the antiparallel spin-valve setup in CrAs, CrSb, and CrBi improve up to almost twice the original values (ZT ≈ 0.12, 0.08, and 0.05) without the spin-valve configuration. Only in CrP, which is the lightest species and less spin-polarized among CrX, the maximum ZT (≈ 0.34) without the spin-valve configuration is larger than that (≈ 0.19) with the spin-valve one. We also find that, at 500 K, all the CrX monolayers possess exceptional TE power factors of about 0.02-0.08 W/m.K 2 , which could be one of the best values among 2D conductors.I.

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Section: Methodssupporting

confidence: 72%

“…Following a prior theoretical study [34], U = 3 eV can be employed for Cr atoms with the spin polarization taken into account for all the systems. For the spin-unpolarized band structures, readers can refer to Supplementary Material Fig.…”

Section: Methodsmentioning

confidence: 99%

Spin-tunable thermoelectric performance in monolayer chromium pnictides

Muntini,

Suprayoga,

Wella

et al. 2021

Preprint

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“…5c, as ε y changes from −6% to 6%, the T C of 1T′ phase varies between ~377.3 K and ~1358.1 K, always higher than room temperature. This is not a surprise since previous works indicated that Cr compounds often had a higher T C such as CrTe 2 and CrX (C, P, As, Sb) 28,34,37,40 . We should be aware that the Heisenberg model tends to overestimate T C .…”

Section: Phase and Magnetic-state Stability Under Strainmentioning

confidence: 72%

Diverse electronic and magnetic properties of CrS2 enabling strain-controlled 2D lateral heterostructure spintronic devices

et al. 2021

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Lateral heterostructures of two-dimensional (2D) materials, integrating different phases or materials into a single piece of nanosheet, have attracted intensive research interests for electronic devices. Extending the 2D lateral heterostructures to spintronics demands more diverse electromagnetic properties of 2D materials. In this paper, using density functional theory calculations, we survey all IV, V, and VI group transition metal dichalcogenides (TMDs) and discover that CrS2 has the most diverse electronic and magnetic properties: antiferromagnetic (AFM) metallic 1T phase, non-magnetic (NM) semiconductor 2H phase, and ferromagnetic (FM) semiconductor 1T′ phase with a Curie temperature of ~1000 K. Interestingly, we find that a tensile or compressive strain can turn the 1T′ phase into a spin-up or spin-down half-metal. Such strain tunability can be attributed to the lattice deformation under tensile/compressive strain that selectively promotes the spin-up/spin-down VBM (valence band bottom) orbital interactions. The diverse electromagnetic properties and the strain tunability enable strain-controlled spintronic devices using a single piece of CrS2 nanosheet with improved energy efficiency. As a demo, a prototypical design of the spin-valve logic device is presented. It offers a promising solution to address the challenge of high energy consumption in miniaturized spintronic devices.

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“…Since the latter is again characterized by the point group D 3h , DMI in such materials can be considered as similarly elusive. Let us also mention here recently predicted 2D chromium pnictides [31], which are half-metallic ferromagnets with very high Curie temperatures. These materials, if realized in practice, can be particularly promising for spin-based logic and other spintronics applications.…”

mentioning

confidence: 72%

Quartic asymmetric exchange for monolayer Fe$_3$GeTe$_2$ and other two-dimensional ferromagnets with trigonal prismatic symmetry

Ado¹,

Rakhmanova²,

Zezyulin³

et al. 2021

Preprint

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We suggest a possible origin of noncollinear magnetic textures in ferromagnets (FMs) with the D 3h point group symmetry. Suggested mechanism is different from the Dzyaloshinskii-Moriya interaction (DMI). Considered symmetry class is important because a large fraction of all single-layer intrinsic FMs should belong to it. In particular, so does a monolayer Fe3GeTe2. At the same time, DMI vanishes identically in materials described by this point group, in the continuous limit. We use symmetry analysis to derive all possible contributions to the free energy density that are of the fourth order with respect to the unit vector n of the local magnetization direction and linear with respect to spatial derivatives of n. There are precisely seven such contributions. However, up to boundary terms, only two of them can be considered as independent. Moreover, for a twodimensional system, one of these two necessarily vanishes! We investigate whether the remaining contribution can serve as a source of spin spirals and skyrmions recently observed in Fe3GeTe2. We also address a possible stabilization of bimerons by the same contribution.

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Two-dimensional chromium pnictides CrX (X=P,As,Sb) : Half-metallic ferromagnets with high Curie temperature

Cited by 57 publications

References 58 publications

Spin-tunable thermoelectric performance in monolayer chromium pnictides

Spin-tunable thermoelectric performance in monolayer chromium pnictides

Diverse electronic and magnetic properties of CrS2 enabling strain-controlled 2D lateral heterostructure spintronic devices

Quartic asymmetric exchange for monolayer Fe$_3$GeTe$_2$ and other two-dimensional ferromagnets with trigonal prismatic symmetry

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