2017
DOI: 10.1021/acs.nanolett.7b01035
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Ferroelectricity, Antiferroelectricity, and Ultrathin 2D Electron/Hole Gas in Multifunctional Monolayer MXene

Abstract: The presence of ferroelectric polarization in 2D materials is extremely rare due to the effect of the surface depolarizing field. Here, we use first-principles calculations to show the largest out-of-plane polarization observed in a monolayer in functionalized MXenes (ScCO). The switching of polarization in this new class of ferroelectric materials occurs through a previously unknown intermediate antiferroelectric structure, thus establishing three states for applications in low-dimensional nonvolatile memory.… Show more

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Cited by 205 publications
(154 citation statements)
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“…2D vertical FE has also been predicted in monolayer functionalized MXenes (Sc 2 CO 2 ) (Chandrasekaran et al, ). The switching of polarization in this type of FE materials occurs through a previously unknown intermediate antiferroelectric structure, thus establishing three states for applications in low‐dimensional NVM as shown in Figure b.…”
Section: Design Of Intrinsic 2d Fementioning
confidence: 83%
“…2D vertical FE has also been predicted in monolayer functionalized MXenes (Sc 2 CO 2 ) (Chandrasekaran et al, ). The switching of polarization in this type of FE materials occurs through a previously unknown intermediate antiferroelectric structure, thus establishing three states for applications in low‐dimensional NVM as shown in Figure b.…”
Section: Design Of Intrinsic 2d Fementioning
confidence: 83%
“…Note that ferroelectric materials are divided into in‐plane and out‐of‐plane ferroelectricity. Black phosphorus (BP)‐like group IV monochalcogenides such as GeSe and SnS are the typical in‐plane ferroelectric materials, while In 2 Se 3 , MXenes Sc 2 CO 2 , and Hf 2 VC 2 F 2 , 1T‐phase MoS 2 , bilayer BN, WTe 2 , etc. possess out‐of‐plane polarization.…”
Section: Resultsmentioning
confidence: 99%
“…13, which is sufficiently high for room-temperature device applications [89]. Interestingly, although Sc 2 CO 2 is a semiconductor with a band gap of 1.91 eV, bilayer is of this material is a semimetal, where 2D electron and hole gases exist on the opposite sides of the surfaces [89]. More recently, it has also been reported theoretically that multiferroelectricity can be achieved in ordereddouble transition metal MXenes, e.g., in Hf 2 VC 2 F 2 , where the helical spin states [see Figs.…”
Section: Ferroelectricitymentioning
confidence: 99%
“…The calculated energy barrier using nudged elastic band (NEB) method for switching polarization of ferroelectric Sc 2 CO 2 from +P z to −P z[89]. The z-axis is normal to the surface.…”
mentioning
confidence: 99%