2016
DOI: 10.1103/physrevlett.117.097601
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Ferroelectricity and Phase Transitions in Monolayer Group-IV Monochalcogenides

Abstract: Ferroelectricity usually fades away when materials are thinned down below a critical value. Employing the first-principles density functional theory and modern theory of polarization, we show that the unique ionic-potential anharmonicity can induce spontaneous in-plane electrical polarizations and ferroelectricity in monolayer group-IV monochalcogenides MX (M=Ge, Sn; X=S, Se). Using Monte Carlo simulations with an effective Hamiltonian extracted from the parameterized energy space, we show these materials exhi… Show more

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Cited by 575 publications
(621 citation statements)
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References 58 publications
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“…The spontaneous in-plane polarization (P s ) estimated in monolayer GeSe can reach to 3.5×10 -10 C/m, which is well consistent with previous works [39][40][41]. [12], the spontaneous valley polarization is induced by ferromagnetism.…”
Section: Resultssupporting
confidence: 76%
See 1 more Smart Citation
“…The spontaneous in-plane polarization (P s ) estimated in monolayer GeSe can reach to 3.5×10 -10 C/m, which is well consistent with previous works [39][40][41]. [12], the spontaneous valley polarization is induced by ferromagnetism.…”
Section: Resultssupporting
confidence: 76%
“…In analogy to black phosphorus [33], group-IV monochalcogenides [34][35][36][37][38][39][40][41] exhibit waved structures. For paravalley materials with hexagonal lattice, the circularly polarized optical selectivity for valleys has been proposed which is essentially rooted in conservation of overall azimuthal quantum number [42].…”
Section: Resultsmentioning
confidence: 99%
“…To calculate the electric polarization of monolayer PbS, we estimate the thickness as twice the distance between S and Pb atom which is roughly half of the lattice constant of bulk PbS. Similar approximations have also done in other several works [24][25][26].The calculated spontaneous polarizations of path I (optimized buckled lattice parameters) and path II (optimized planar lattice parameters) are 0.2 C/m 2 and 0.1 C/m 2 , respectively.…”
Section: Bistabilitymentioning
confidence: 79%
“…To compare the electric polarization of monolayer PbS to the typical bulk ferroelectrics, we approximate the thickness as twice the distance between S and Pb atom which is roughly half of the lattice constant of bulk PbS. Similar approximations have also been used in other several works [24][25][26].…”
mentioning
confidence: 99%
“…The field of 2D materials has expanded greatly in the past few years, featuring a broad range of applications for electronic, photonic and piezoelectric devices [1][2][3][4], as well as exciting new physics to be realized, such as 2D ferroelectricity, ferromagnetism and exciton condensate [5][6][7][8]. Almost all the applications are premised on a good understanding the electronic properties of the material, especially the quasiparticle band gap.…”
Section: Introductionmentioning
confidence: 99%