Pseudojellium, ideal metals, and stabilized jellium

Shore, Herbert B.; Rose, James H.

doi:10.1103/physrevb.59.10485

Cited by 12 publications

(9 citation statements)

References 39 publications

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“…The SJ model gives incorrect values for properties such as the cohesive energy, surface energy, and bulk modulus, due to the trend of the system to compress or expand. To improve the results, corrections can be added to the SJ model, 34 e.g., using the so-called stabilized jellium model introduced by Perdew co-workers 35 and Shore Rose. 36 In this work, we use the UJ model, the philosophy of which differs from the stabilized jellium model in which it does not try to correct the above-mentioned deficiencies of the SJ model.…”

Section: A Jellium Modelsmentioning

confidence: 99%

Electronic resonance states in metallic nanowires during the breaking process simulated with the ultimate jellium model

Ogando¹,

Torsti

Zabala

et al. 2003

Phys. Rev. B

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We investigate the elongation and breaking process of metallic nanowires using the ultimate jellium model in self-consistent density-functional calculations of the electron structure. In this model the positive background charge deforms to follow the electron density and the energy minimization determines the shape of the system. However, we restrict the shape of the wires by assuming rotational invariance about the wire axis. First we study the stability of infinite wires and show that the quantum mechanical shell-structure stabilizes the uniform cylindrical geometry at given magic radii. Next, we focus on finite nanowires supported by leads modeled by freezing the shape of a uniform wire outside the constriction volume. We calculate the conductance during the elongation process using the adiabatic approximation and the WKB transmission formula. We also observe the correlated oscillations of the elongation force. In different stages of the elongation process two kinds of electronic structures appear: one with extended states throughout the wire and one with an atom-cluster like unit in the constriction and with well localized states. We discuss the origin of these structures.

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Section: A Jellium Modelsmentioning

confidence: 99%

Electronic resonance states in metallic nanowires during the breaking process simulated with the ultimate jellium model

Ogando¹,

Torsti

Zabala

et al. 2003

Phys. Rev. B

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“…In the jellium model, the electron pressure does not satisfy the condition P e = 0 at equilibrium density n 0 in the vacuum. In contrast to this model the condition P e = 0 at equilibrium density n 0 is fulfilled in the stabilized jellium (SJ) model 7), 9) (ideal metal model 8), 9) ), where the finite jellium has an infinitesimally thin dipole layer on its surface. The relation (5 .…”

Section: Derivation Of a Virial Pressure Formulamentioning

confidence: 99%

“…However, the electron pressure determined from the jellium model becomes zero only at the electron density of r s ≈ 4 and the jellium surface energy becomes negative for r s ≈ 2, while the jellium bulk modulus is negative at r s ≈ 6. These drawbacks of the jellium model are rectified by the stabilized jellium (SJ) model 7) (or the ideal metal model 8), 9) ), where an infinitesimally thin dipole layer is added to the surface of the uniform background in the jellium; this dipole layer produces a uniform field in the jellium to make it stable at any metallic densities. On use of this SJ model to obtain an electron pressure expression, we derived a pressure formula for a simple liquid metal in the present work.…”

Section: §1 Introductionmentioning

confidence: 99%

Electron and Nuclear Pressures in Electron-Nucleus Mixtures

Chihara¹,

Yamagiwa²

2007

Progress of Theoretical Physics

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It is shown for an electron-nucleus mixture that the electron and nuclear pressures are defined clearly and simply by the virial theorem; the total pressure of this system is a sum of these two pressures. The electron pressure is different from the conventional electron pressure being expressed as the sum of two times of kinetic energy and the potential energy in that the nuclear virial term is subtracted; this fact is exemplified by several kinds of definitions for the electron pressure enumerated in this work. The conventional definition of the electron pressure in terms of the nuclear virial term is shown inappropriate. Similar remarks are made about the definition of the stress tensor in this mixture. It is also demonstrated that both of the electron and nuclear pressures become zero at the same time for a metal in the vacuum, in contrast to the conventional viewpoint that the zero pressure is realized by a result of the cancellation between the electron and nuclear pressures, each of which is not zero. On the basis of these facts, a simple equation of states for liquid metals is derived, and examined numerically for liquid alkaline metals by use of the quantum hypernetted chain equation and the Ashcroft model potential. * )

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“…For the most elaborated case of the vacuum-metal interface the self-consistent calculations show that the electron gas spills out, the image plane shifts inwards, and W tends in the bulk to the inner potential energy level [48,49,52,53]. Nevertheless, even such a cumbersome treatment is not at all exact because the electron correlation energy is not properly determined for metallic densities [54], the gradient expansion for the nonhomogeneous electron liquid cannot be carried out with a desirable accuracy [48,49], and the ion-structure post-jellium corrections are allowed for only as a perturbation [48,49,51,53,[55][56][57]. Thus, the necessity of less-involved approaches is evident.…”

Section: Introductionmentioning

confidence: 99%

Dynamical Image Forces near Semiconductor-Vacuum Interfaces and in Vacuum Interlayers between Semiconductors

Gabovich

Розенбаум

Войтенко

2001

phys. stat. sol. (b)

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Dynamical image force (polarization) energies WðzÞ induced by charged particles moving perpendicular to the vacuum-semiconductor interface or in the vacuum slab between semiconductors have been calculated on the basis of the perturbation theory developed by the authors earlier. The cases of the uniform and uniformly accelerated motions are treated as an example. The adopted dielectric approach takes into account both spatial and temporal dispersions of the electrode dielectric functions eðk; wÞ. It is shown that the quantum-mechanical character of the k-dependence of eðk; wÞ leads to a smoother WðzÞ dependence than in the semiclassical case. It is also demonstrated that the proper account of the quantum-mechanical screening behavior leads to a drastic reduction of the dynamical corrections to the static image forces. For reasonable values of the relevant parameters of the problem it is sufficient to retain only the first dynamical term of the perturbation series. Thus, the use of the expansion method is justified for multilayer semiconductor structures.

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Pseudojellium, ideal metals, and stabilized jellium

Cited by 12 publications

References 39 publications

Electronic resonance states in metallic nanowires during the breaking process simulated with the ultimate jellium model

Electronic resonance states in metallic nanowires during the breaking process simulated with the ultimate jellium model

Electron and Nuclear Pressures in Electron-Nucleus Mixtures

Dynamical Image Forces near Semiconductor-Vacuum Interfaces and in Vacuum Interlayers between Semiconductors

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