Electronic, thermodynamics and mechanical properties of LaB6 from first-principles

Иващенко, В. И.; Turchi, P. E. A.; Шевченко, В. И.; Medukh, N. R.; Leszczyński, Jerzy; Gorb, Leonid

doi:10.1016/j.physb.2017.12.044

Cited by 21 publications

(3 citation statements)

References 42 publications

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“…7.6. For comparison, we show the orbital-projected DOS of a bulk simulation of LaB 6 which is in good agreement with previous DFT results [97,34]. In the data of the surface slab we find a characteristic peak −0.2 eV below the Fermi level, which is not present in the bulk data.…”

Section: Surface Simulationssupporting

confidence: 89%

Scanning Tunneling Spectroscopy of Rare Earth Hexaborides

Buchsteiner¹

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Section: Surface Simulationssupporting

confidence: 89%

Scanning Tunneling Spectroscopy of Rare Earth Hexaborides

Buchsteiner¹

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“…Lanthanum hexaboride (LaB 6 ) has been extensively explored over the past decades because of its successful application as a thermionic electron source due to its strong mechanical stability, its low work function, and its high melting point. − …”

Section: Introductionmentioning

confidence: 99%

Isotopic Correction of Compositional Inaccuracies in the Atom Probe Analysis of LaB₆

Ndiaye,

Bhorade,

Blum

et al. 2024

J. Phys. Chem. C

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The atomic-scale characteristics of stoichiometric lanthanum hexaboride (LaB6) material are investigated in this work using atom probe tomography (APT). The presence of a higher background level in the mass spectrum is attributed to continuous boron evaporation, causing preferential boron loss and affecting composition measurements. The measured composition in LaB6 exhibits inaccuracies influenced by the experimental conditions, particularly showing an excess of lanthanum (La). This enrichment is consistently linked to boron’s tendency for continuous evaporation, leading to a higher fraction of multiple evaporation and detection events. Consequently, the susceptibility of boron to measurement errors is increased due to detector limitations. To address this issue, we propose a method of compositional correction based on pseudomultiple events and an abundance of isotopic pairs, which has been successfully applied to elements with two isotopes and has the potential for elements with multiple isotopes.

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“…[13][14][15][16] Lanthanum hexaboride (LaB 6 ) has been extensively explored over the past decades because of its successful application as a thermionic electron source due to its strong mechanical stability, its low work function and its high melting point. 17 However, little success has been reported up to recent works on single LaB 6 nanowires demonstrating that LaB 6 is a promising material for cold eld emitters. [18][19][20][21][22] Since nanowires are too fragile and complicated to manipulate, last year S. Tang et al 23,24 proposed the use of LaB 6 nanoneedles as robust, ultra-bright emission sources, with a long time emission stability.…”

Section: Introductionmentioning

confidence: 99%