First-principles study of As, Sb, and Bi electronic properties

Gonze, Xavier; Michenaud, Jean-Pierre; Vigneron, Jean‐Pol

doi:10.1103/physrevb.41.11827

Cited by 163 publications

(134 citation statements)

References 58 publications

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“…This gives an estimate of the typical density of states in the region of the overlap of the conduction and valence bands. On the other hand, the typical density of states is approximately 1 eV −1 at energies 0.5-1.0 eV from the Fermi level 44 . Fig.…”

Section: Discussion -Band Structure and Electron-hole Recombinatiomentioning

confidence: 99%

Free-carrier relaxation and lattice heating in photoexcited bismuth

et al. 2013

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We report ultrafast surface pump and interface probe experiments on photoexcited carrier transport across single crystal bismuth films on sapphire. The film thickness is sufficient to separate carrier dynamics from lattice heating and strain, allowing us to investigate the time-scales of momentum relaxation, heat transfer to the lattice and electron-hole recombination. The measured electron-hole (e − h) recombination time is 12-26 ps and ambipolar diffusivity is 18-40 cm 2 /s for carrier excitation up to ∼ 10 19 cm −3 . By comparing the heating of the front and back sides of the film, we put lower limits on the rate of heat transfer to the lattice, and by observing the decay of the plasma at the back of the film, we estimate the timescale of electron-hole recombination. We interpret each of these timescales within a common framework of electron-phonon scattering and find qualitative agreement between the various relaxation times observed. We find that the carrier density is not determined by the e − h plasma temperature after a few picoseconds. The diffusion and recombination become nonlinear with initial excitation > ∼ 10 20 cm −3 .

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Section: Discussion -Band Structure and Electron-hole Recombinatiomentioning

confidence: 99%

Free-carrier relaxation and lattice heating in photoexcited bismuth

et al. 2013

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“…Ab initio electronic structure calculations have shown that indeed alternating stronger and weaker bonding is present between close-packed planes. 21,22 In this respect the following statements in Ref. 22 are of interest: ''This stacking of pairs of planes ͑along the trigonal axis͒ can explain the easy cleavage properties of this type of monocrystals.…”

Section: B Transrotational Crystalsmentioning

confidence: 99%

“…21,22 In this respect the following statements in Ref. 22 are of interest: ''This stacking of pairs of planes ͑along the trigonal axis͒ can explain the easy cleavage properties of this type of monocrystals. The anisotropy of these crystals is, however, less obvious than for other two-dimensional materials, such as graphite.''…”

Section: B Transrotational Crystalsmentioning

confidence: 99%

On the crystallization of thin films composed of Sb3.6Te with Ge for rewritable data storage

Kooi

Hosson

2004

Journal of Applied Physics

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This article addresses the crystallization of amorphous Sb 3.6 Te films ͑40 nm thick͒ and 5 at. % Ge containing Sb 3.6 Te films ͑10, 20, and 40 nm thick͒ as studied with transmission electron microcopy using in situ annealing. These materials exhibit growth-dominated crystallization, in contrast to the usual Ge 2 Sb 2 Te 5 that shows nucleation-dominated crystallization. Particularly the crystal-growth velocity in these systems has been measured as a function of temperature from which the activation energy for growth can be derived. The strong effect of the 5 at. % Ge addition on the total crystallization behavior is revealed by the following four phenomena: Ge increases the crystallization temperature ͑from 95 to 150°C͒, increases the activation energy for growth ͑from 1.58 to 2.37 eV͒, increases the nucleation rate and decreases the growth anisotropy. The crystallites have a special transrotational structure and a mechanism responsible for the development of this special structure is delineated.

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“…The spin-orbit interaction in the heavy element Bi is very strong. In the bulk band structure, the spin-orbit interaction is important 6 but it does not lead to a splitting of the bands with respect to the spin ͑i.e., every band still contains two electrons with opposite spin per k-point͒ because of the inversion symmetry of the bulk structure. On the surfaces, however, no inversion symmetry is present and the surface state bands are split with respect to their spin direction.…”

Section: Introductionmentioning

confidence: 99%

Structure of the (111) surface of bismuth: LEED analysis and first-principles calculations

et al. 2005

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The surface structure of Bi͑111͒ was investigated by low-energy electron diffraction ͑LEED͒ intensity analysis for temperatures between 140 and 313 K and by first-principles calculations. The diffraction pattern reveals a ͑1 ϫ 1͒ surface structure and LEED intensity versus energy simulations confirm that the crystal is terminated with a Bi bilayer. Excellent agreement is obtained between the calculated and measured diffraction intensities in the whole temperature range. The first interlayer spacing shows no significant relaxation at any temperature while the second interlayer spacing expands slightly. The Debye temperatures deduced from the optimized atomic vibrational amplitudes for the two topmost layers are found to be significantly lower than in the bulk. The experimental results for the relaxations agree well with those of our first-principles calculation.

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First-principles study of As, Sb, and Bi electronic properties

Cited by 163 publications

References 58 publications

Free-carrier relaxation and lattice heating in photoexcited bismuth

Free-carrier relaxation and lattice heating in photoexcited bismuth

On the crystallization of thin films composed of Sb3.6Te with Ge for rewritable data storage

Structure of the (111) surface of bismuth: LEED analysis and first-principles calculations

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