Calculated 2D Fermi surfaces and electronic structure of (100) and (110) W

Cherepin, V. T.; Floka, V.M.; Man’kovsky, S.V.; Ostroukhov, A.A.; Tomilenko, V.N.

doi:10.1016/0368-2048(94)02106-6

Cited by 5 publications

(2 citation statements)

References 10 publications

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“…As to the dispersion of the ¯ 2 surface state, a good overall agreement among theoretical calculations is established for W(001)-(1 × 1): the surface-state band is located at 0.5-0.8 eV below E F at ¯ , shows flat but slightly upward dispersion along ¯ , crosses the Fermi level at ∼0.6 M and disperses up to 2-2.5 eV above E F at M [48,[83][84][85][86][87][88][89]. The calculations for Mo(001) also show similar results [89,90].…”

Section: Electronic Structure and Mechanism Of The Phase Transition W...supporting

confidence: 55%

Charge-density waves on metal surfaces

Aruga

2002

J. Phys.: Condens. Matter

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Studies of the Peierls-type charge-density-wave (CDW) transitions on metal surfaces are reviewed. After the background is reviewed based on the theoretical and experimental works on such transitions in bulk quasi-low-dimensional materials, two prototypical examples are presented. One is the well known surface reconstruction transition on W(001) and Mo(001), for which there was a long-standing controversy whether the transition is due to the CDW formation or the local bonding. It is emphasized that these two pictures do not contradict each other but describe the equivocal nature of this phenomenon. The second example is the phase transition in ultrathin In films on Cu(001), which is governed by the nesting of the Fermi surface constituted by a nearly-freeelectron-like sp surface resonance band, in contrast with the case of W and Mo, where much-localized d-band surface resonances play a dominant role. Finally, the origin of the long-periodicity structures widely observed in sp metals on fcc(001) systems is discussed in terms of the Fermi-surface topology expected to be common in these systems, which would be driven by strong electronphonon coupling to lead these surfaces to the formation of the peculiar long periodicities.

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Section: Electronic Structure and Mechanism Of The Phase Transition W...supporting

confidence: 55%

Charge-density waves on metal surfaces

Aruga

2002

J. Phys.: Condens. Matter

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“…Since we use a fixed geometry and the transport properties depend only on the Fermi energy, it is not necessary at all to use the GGA. The Kohn-Sham equations [13] were solved using the full-potential linearized augmented plane wave (FP-LAPW) method in slab geometry [14,15]. This method is extremely advantageous for computing the electronic structure of magnetic multilayers, because it was designed to take into account the slab geometry and the interaction between the outermost monolayers of the trilayer system and vacuum.…”

Section: Self-consistent Calculationsmentioning

confidence: 99%

Calculations of giant magnetoresistance in Fe/Cr trilayers using layer potentials determined fromab initiomethods

Pereiro¹,

Baldomir²,

Man’kovsky³

et al. 2007

J. Phys.: Condens. Matter

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The ab initio full-potential linearized augmented plane-wave method explicitly designed for the slab geometry was employed to elucidate the physical origin of the layer potentials for the trilayers nFe/3Cr/nFe(001), where n is the number of Fe monolayers. The thickness of the transition-metal ferromagnet has been ranged from n = 1 up to n = 8 while the spacer thickness was fixed to 3 monolayers. The calculated potentials were inserted in the Fuchs-Sondheimer formalism in order to calculate the giant magnetoresistance (GMR) ratio. The predicted GMR ratio was compared with the experiment and the oscillatory behavior of the GMR as a function of the ferromagnetic layer thickness was discussed in the context of the layer potentials. The reported results confirm that the interface monolayers play a dominant role in the intrinsic GMR.

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The possible mechanism of incommensurate charge-density-wave occurrence on the (100)W surface

Man’kovsky

Cherepin

1996

Surface Science

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Calculated 2D Fermi surfaces and electronic structure of (100) and (110) W

Cited by 5 publications

References 10 publications

Charge-density waves on metal surfaces

Charge-density waves on metal surfaces

Calculations of giant magnetoresistance in Fe/Cr trilayers using layer potentials determined fromab initiomethods

The possible mechanism of incommensurate charge-density-wave occurrence on the (100)W surface

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