Phase diagram of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mmultiscripts><mml:mtext>H</mml:mtext><mml:mprescripts /><mml:none /><mml:mn>4</mml:mn></mml:mmultiscripts><mml:mtext>e</mml:mtext></mml:mrow></mml:math>adsorbed on graphite

Corboz, Philippe; Boninsegni, Massimo; Pollet, Lode; Troyer, Matthias

doi:10.1103/physrevb.78.245414

Cited by 98 publications

(194 citation statements)

References 39 publications

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“…The liquid phase is metastable with respect to the crystal. As the density is increased, the commensurate crystal transforms into a triangular incommensurate solid of density ∼ 0.08Å −2 (Gordillo and Boronat, 2009b;Pierce and Manousakis, 2000;Corboz et al, 2008). This description is in excellent agreement with the available experimental data (Bruch, Cole, and Zaremba, 1997).…”

Section: A Quantum Filmssupporting

confidence: 80%

Simulation and understanding of atomic and molecular quantum crystals

2017

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Quantum crystals abound in the whole range of solid-state species. Below a certain threshold temperature the physical behavior of rare gases ( 4 He and Ne), molecular solids (H 2 and CH 4 ), and some ionic (LiH), covalent (graphite), and metallic (Li) crystals can be only explained in terms of quantum nuclear effects (QNE). A detailed comprehension of the nature of quantum solids is critical for achieving progress in a number of fundamental and applied scientific fields like, for instance, planetary sciences, hydrogen storage, nuclear energy, quantum computing, and nanoelectronics. This review describes the current physical understanding of quantum crystals formed by atoms and small molecules, as well as the wide palette of simulation techniques that are used to investigate them. Relevant aspects in these materials such as phase transformations, structural properties, elasticity, crystalline defects and the effects of reduced dimensionality, are discussed thoroughly. An introduction to quantum Monte Carlo techniques, which in the present context are the simulation methods of choice, and other quantum simulation approaches (e. g., path-integral molecular dynamics and quantum thermal baths) is provided. The overarching objective of this article is twofold. First, to clarify in which crystals and physical situations the disregard of QNE may incur in important bias and erroneous interpretations. And second, to promote the study and appreciation of QNE, a topic that traditionally has been treated in the context of condensed matter physics, within the broad and interdisciplinary areas of materials science.

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Section: A Quantum Filmssupporting

confidence: 80%

Simulation and understanding of atomic and molecular quantum crystals

2017

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“…Simulations predict that just before third-layer promotion the second layer forms a 2D solid, incommensurate with the first-layer lattice potential [13,14]. The central question we address in this report is how the 'superfluid' response disappears on approaching that coverage.…”

Section: Introductionmentioning

confidence: 99%

On the ‘Supersolid’ Response of the Second Layer of $$^4 \hbox {He}$$ 4 He on Graphite

et al. 2017

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Recent torsional oscillator measurements on the second layer of 4 He adsorbed on graphite have identified an anomalous superfluid response over a coverage range near third-layer promotion, with four distinct coverage regimes. Here, we present details of the superfluid response in the coverage regime immediately below third-layer promotion. A scaling analysis of the inferred superfluid fraction shows the characteristic temperature governing the superfluid response to decrease, approaching zero near the coverage at which simulations predict the second layer to form a conventional incommensurate solid.

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“…However, more recent studies [1,11,18] substitute this integrated potential by explicit pair sums that, in practice, can be tabulated in a grid for an efficient use in the simulation. In this way, one recovers the experimental ground state and describes accurately the full experimental phase diagram [4].…”

Section: Methodsmentioning

confidence: 99%

“…However, this potential is not able to generate a satisfactory phase diagram because no corrugation is present. Instead, in more recent simulations an explicit account of the sum of all the carbon-helium interactions has been included [1,17,18], making the resulting phase diagrams agree with available experimental data on graphite. In the present work, we further analyze the influence of the C-He interaction in the phase diagram by comparing the results obtained with two different potential models: an isotropic Lennard-Jones potential, used extensively in previous studies [13], and the anisotropic interaction proposed by Carlos and Cole to obtain a better agreement with certain experimental measurements [14].…”

Section: Introductionmentioning

confidence: 99%

Phase Diagrams of 4He on Flat and Curved Environments

Gordillo

Boronat

2012

J Low Temp Phys

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By means of diffusion Monte Carlo calculations, we obtained the phase diagrams of a first and second layer of 4 He on graphene and on the outside of different isolated armchair carbon nanotubes with radii in the range 3.42 to 10.85 Å. That corresponds to tubes between the (5, 5) and (16, 16) in standard nomenclature. In both cases, the ground state is either a liquid (second layer on graphene and on nanotubes whose radii is greater than ∼7 Å) or an incommensurate solid (for thinner tubes). In the former case, upon a density increase, the system undergoes a first-order phase transition to another incommensurate solid. A study of the influence of the C-He potential (isotropic or anisotropic) on the phase diagrams is also presented.

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Phase diagram ofH4eadsorbed on graphite

Cited by 98 publications

References 39 publications

Simulation and understanding of atomic and molecular quantum crystals

Simulation and understanding of atomic and molecular quantum crystals

On the ‘Supersolid’ Response of the Second Layer of $$^4 \hbox {He}$$ 4 He on Graphite

Phase Diagrams of 4He on Flat and Curved Environments

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