Journal•ISSN: 2159-6867
MRS Communications
Cambridge University Press
About: MRS Communications is an academic journal published by Cambridge University Press. The journal publishes majorly in the area(s): Chemistry & Engineering. It has an ISSN identifier of 2159-6867. Over the lifetime, 1262 publications have been published receiving 14090 citations. The journal is also known as: Materials Research Society communications.
Topics: Chemistry, Engineering, Computer science, Thin film, Graphene
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TL;DR: In this paper, the authors propose that defect tolerance emerges from fundamental electronic-structure properties, including the orbital character of the conduction and valence band extrema, the chargecarrier effective masses, and the static dielectric constant.
Abstract: The emergence of methyl-ammonium lead halide (MAPbX3) perovskites motivates the identification of unique properties giving rise to exceptional bulk transport properties, and identifying future materials with similar properties. Here, we propose that this “defect tolerance” emerges from fundamental electronic-structure properties, including the orbital character of the conduction and valence band extrema, the chargecarrier effective masses, and the static dielectric constant. We use MaterialsProject.org searches and detailed electronic-structure calculations to demonstrate these properties in other materials than MAPbX3. This framework of materials discovery may be applied more broadly, to accelerate discovery of new semiconductors based on emerging understanding of recent successes.
621 citations
TL;DR: In this paper, the electronic and elastic properties of two-dimensional early transition metal carbides and nitrides derived from the MAX phases were investigated by first principles calculations utilizing the generalized gradient approximation within the density functional theory.
Abstract: Recently, we reported on the facile synthesis of a number of two-dimensional early transition metal carbides and nitrides, derived from the MAX phases, that we labeled MXenes. Herein, we report on the electronic and elastic properties—investigated by first principles calculations utilizing the generalized gradient approximation within the density functional theory—of the following two-dimensional transition metal carbides: Ti2C, Ti3C2, Ti4C3, V2C, Cr2C, Zr2C, Hf2C, and Ta2C, Ta3C2, and Ta4C3. Similar to the MAX phases, the MXenes are found to be metallic and possess high elastic moduli when stretched along the basal planes.
385 citations
TL;DR: In this article, the advantages of fluorite-structure ferroelectrics for memory applications are reviewed from a material's point of view, and the critical issues of wake-up effect and insufficient endurance are examined, and potential solutions are subsequently discussed.
Abstract: The ferroelectricity in fluorite-structure oxides such as hafnia and zirconia has attracted increasing interest since 2011 They have various advantages such as Si-based complementary metal oxide semiconductor-compatibility, matured deposition techniques, a low dielectric constant and the resulting decreased depolarization field, and stronger resistance to hydrogen annealing However, the wake-up effect, imprint, and insufficient endurance are remaining reliability issues Therefore, this paper reviews two major aspects: the advantages of fluorite-structure ferroelectrics for memory applications are reviewed from a material’s point of view, and the critical issues of wake-up effect and insufficient endurance are examined, and potential solutions are subsequently discussed
320 citations
TL;DR: In this article, the authors focus on recent advances and remaining challenges in the emerging field of mechanical metamaterials and present a prospective review of the most recent advances in this emerging field.
Abstract: Metamaterials are man-made designer matter that obtains its unusual effective properties by structure rather than chemistry. Building upon the success of electromagnetic and acoustic metamaterials, researchers working on mechanical metamaterials strive at obtaining extraordinary or extreme elasticity tensors and mass-density tensors to thereby mold static stress fields or the flow of longitudinal/transverse elastic vibrations in unprecedented ways. In this prospective paper, we focus on recent advances and remaining challenges in this emerging field. Examples are ultralight-weight, negative mass density, negative modulus, pentamode, anisotropic mass density, Origami, nonlinear, bistable, and reprogrammable mechanical metamaterials.
236 citations
TL;DR: In this article, the authors proposed some guidelines in predicting phase formation, using thermodynamic and topological parameters of the constituent elements, which can pave the way toward the composition design of MEAs and HEAs, as well as property optimization based on the composition-structure-property relationship.
Abstract: With multiple elements mixed at equal or near-equal molar ratios, the emerging, high-entropy alloys (HEAs), also named multi-principal elements alloys (MEAs), have posed tremendous challenges to materials scientists and physicists, e.g., how to predict high-entropy phase formation and design alloys. In this paper, we propose some guidelines in predicting phase formation, using thermodynamic and topological parameters of the constituent elements. This guideline together with the existing ones will pave the way toward the composition design of MEAs and HEAs, as well as property optimization based on the composition–structure–property relationship.
234 citations