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Strong In-Plane Anisotropies of Optical and Electrical Response in Layered Dimetal Chalcogenide

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TLDR
The results not only prove Ta2NiS5 is a promising in-plane anisotropic 2D material but also provide an interesting platform for future functionalized electronic devices.
Abstract
An interesting in-plane anisotropic layered dimetal chalcogenide Ta2NiS5 is introduced, and the optical and electrical properties with respect to its in-plane anisotropy are systematically studied. The Raman vibration modes have been identified by Raman spectra measurements combined with calculations of phonon-related properties. Importantly, the Ta2NiS5 flakes exhibit strong anisotropic Raman response under the angle-resolved polarized Raman spectroscopy measurements. We found that Raman intensities of the Ag mode not only depend on rotation angle but are also related to the sample thickness. In contrast, the infrared absorption with light polarized along the a axis direction is always larger than that in the c axis direction regardless of thickness under the polarization-resolved infrared spectroscopy measurements. Remarkably, the first-principles calculations combined with angle-resolved conductance measurements indicate strong anisotropic conductivity of Ta2NiS5. Our results not only prove Ta2NiS5 is ...

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2D GeP: An Unexploited Low‐Symmetry Semiconductor with Strong In‐Plane Anisotropy

TL;DR: Germanium phosphide (GeP), a new member of the Group IV-Group V compounds, is introduced into the fast growing 2D family with experimental and theoretical demonstration of strong anisotropic physical properties.
Journal ArticleDOI

Highly Anisotropic GeSe Nanosheets for Phototransistors with Ultrahigh Photoresponsivity.

TL;DR: 2D GeSe possesses black phosphorous‐analog‐layered structure and shows excellent environmental stability, as well as highly anisotropic in‐plane properties, and shows strong polarization‐dependent photoresponse with a peak/valley ratio of 1.3.
References
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Journal ArticleDOI

Generalized Gradient Approximation Made Simple

TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
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Projector augmented-wave method

TL;DR: An approach for electronic structure calculations is described that generalizes both the pseudopotential method and the linear augmented-plane-wave (LAPW) method in a natural way and can be used to treat first-row and transition-metal elements with affordable effort and provides access to the full wave function.
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QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

TL;DR: QUANTUM ESPRESSO as discussed by the authors is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, and projector-augmented wave).
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Soft self-consistent pseudopotentials in a generalized eigenvalue formalism.

TL;DR: Novel features are that the pseudopotential itself becomes charge-state dependent, the usual norm-conservation constraint does not apply, and a generalized eigenproblem is introduced.
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Hybrid functionals based on a screened Coulomb potential

TL;DR: In this paper, a new hybrid density functional based on a screened Coulomb potential for the exchange interaction is proposed, which enables fast and accurate hybrid calculations, even of usually difficult metallic systems.
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