Energy, Phonon, and Dynamic Stability Criteria of Two-Dimensional Materials.

08:00 EDT 15th April 2019 | BioPortfolio

Summary of "Energy, Phonon, and Dynamic Stability Criteria of Two-Dimensional Materials."

First-principles calculations have become a powerful tool to exclude the Edisonian approach in search of novel two-dimensional (2D) materials. However, no universal first-principles criteria to examine the realizability of hypothetical 2D materials have been established in the literature yet. Because of this, and as the calculations are always performed in an artificial simulation environment, one can unintentionally study compounds that do not exist in experiments. Although investigations of physics and chemistry of unrealizable materials can provide some fundamental knowledge, the discussion of their applications can mislead experimentalists for years and increase the gap between experimental and theoretical research. By analyzing energy convex hull, phonon spectra, and structure evolution during ab initio molecular dynamics simulations for a range of synthesized and recently proposed 2D materials, we construct energy, phonon, and dynamic stability filters that need to be satisfied before proposing novel 2D compounds. We demonstrate the power of the suggested filters for several selected 2D systems, revealing that some of them cannot be ever realized experimentally.


Journal Details

This article was published in the following journal.

Name: ACS applied materials & interfaces
ISSN: 1944-8252


DeepDyve research library

PubMed Articles [20478 Associated PubMed Articles listed on BioPortfolio]

Phonon Polaritonics in Two-Dimensional Materials.

Extreme confinement of electromagnetic energy by phonon polaritons holds the promise of strong and new forms of control over the dynamics of matter. To bring such control to the atomic-scale limit, it...

Strong Phonon-Phonon Interactions Securing Extraordinary Thermoelectric GeSbTe with Zn-Alloying Induced Band Alignment.

The ability of substitution atoms to decrease thermal conductivity is usually ascribed to the enhanced phonon-impurity scattering by assuming the original phonon dispersion relations. In this study, w...

Thermal transport in C3N nanotube: a comparative study with carbon nanotube.

One-dimensional nanotubes, such as, carbon nanotube (CNT) and C3N nanotube (C<sub>3</sub>NNT), are attracting growing research interest due to their excellent electrical and thermal proper...

Universality and Stability Phase Diagram of Two-Dimensional Brittle Fracture.

The two-dimensional oscillatory crack instability, experimentally observed in a class of brittle materials under strongly dynamic conditions, has been recently reproduced by a nonlinear phase-field fr...

Born effective charge removed anomalous temperature dependence of lattice thermal conductivity in monolayer GeC.

Due to potential applications in nano- and opto-electronics, two-dimensional (2D) materials have attracted tremendous interest. Their thermal transport properties are closely related to the performanc...

Clinical Trials [6334 Associated Clinical Trials listed on BioPortfolio]

TEPStabil - Muscle Function and Dynamic and Postural Stability in Patients Receiving Hip or Knee Arthroplasty

Study 1 is to determine if muscle strength and dynamic and postural stability are compromised in patients with severe hip or knee Osteoarthritis (OA) and in patients after THA and TKA. St...

Patient Satisfaction and Dimensional Accuracy of Bre Flex and Peek for Removable Partial Dentures

Evaluation the patient satisfaction and dimensional stability of upper removable partial denture constructed from two different flexible thermoplastic materials.(BRE-FLEX and PEEK).

Evaluation of Dynamic Stability in the Low Back Pain Patient

The main objective of this study is to compare on day 0 the maximum Lyapunov exponent (lmax, an indicator of local dynamic stability) of chronic low back pain patients versus that of healt...

Shoulder Proprioception Following Open and Arthroscopic Instability Repair

Shoulder dislocations are common and may result in functionally disabling instability. Disruption of the shoulder capsuloligamentous complex during shoulder dislocation is related to poor ...

Dynamic Imaging of the Subtalar Instability

The purpose of this study is to describe normal dynamic computed tomography anatomy of hind foot in inversion/eversion movement, and to define diagnostic criteria for subtalar instability.

Medical and Biotech [MESH] Definitions

Dynamic three-dimensional echocardiography using the added dimension of time to impart the cinematic perception of motion. (Mayo Clin Proc 1993;68:221-40)

Echocardiography amplified by the addition of depth to the conventional two-dimensional ECHOCARDIOGRAPHY visualizing only the length and width of the heart. Three-dimensional ultrasound imaging was first described in 1961 but its application to echocardiography did not take place until 1974. (Mayo Clin Proc 1993;68:221-40)

Electric power supply devices which convert biological energy, such as chemical energy of metabolism or mechanical energy of periodic movements, into electrical energy.

The process of generating three-dimensional images by electronic, photographic, or other methods. For example, three-dimensional images can be generated by assembling multiple tomographic images with the aid of a computer, while photographic 3-D images (HOLOGRAPHY) can be made by exposing film to the interference pattern created when two laser light sources shine on an object.

A family of multisubunit cytoskeletal motor proteins that use the energy of ATP hydrolysis to power a variety of cellular functions. Dyneins fall into two major classes based upon structural and functional criteria.

Quick Search


DeepDyve research library

Searches Linking to this Article