2017
DOI: 10.1103/physrevmaterials.1.034406
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Exchange striction driven magnetodielectric effect and potential photovoltaic effect in polar CaOFeS

Abstract: CaOFeS is a semiconducting oxysulfide with polar layered triangular structure. Here a comprehensive theoretical study has been performed to reveal its physical properties, including magnetism, electronic structure, phase transition, magnetodielectric effect, as well as optical absorption. Our calculations confirm the Ising-like G-type antiferromagnetic ground state driven by the next-nearest neighbor exchanges, which breaks the trigonal symmetry and is responsible for the magnetodielectric effect driven by exc… Show more

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Cited by 16 publications
(21 citation statements)
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“… A long list of other type-II multiferroics, including α-NaFeO 2 [ 55 ], Mn 2 O 3 [ 56 ], (La, Bi)Mn 3 Cr 4 O 12 [ 57 , 58 ], Ni 3 TeO 6 [ 59 , 60 ], (Fe, Mn) 2 Mo 3 O 8 [ 61–63 ], Co 4 Nb 2 O 9 [ 64 ], Mn 2 MnWO 6 [ 65 ], RFe 3 (BO 3 ) 4 [ 66–68 ], KCu 3 As 2 O 7 (OD) 3 [ 69 ], NaFeSi 2 O 6 [ 70 ], In 2 NiMnO 6 [ 71 ], and so on. Certainly, this list should not exclude materials other than oxides, and compounds with other anions such as S and Se have been revealed to show type-II multiferroicity too, including CaOFeS [ 72 ], MnSb 2 S 4 [ 73 ], BaFe 2 Se 3 [ 74 ], Cu 3 Bi(SeO 3 ) 2 O 2 Cl [ 75 ], CsCuCl 3 [ 76 ], and CuBr 2 [ 77 ]. …”
Section: Type-ii Multiferroicsmentioning
confidence: 99%
“… A long list of other type-II multiferroics, including α-NaFeO 2 [ 55 ], Mn 2 O 3 [ 56 ], (La, Bi)Mn 3 Cr 4 O 12 [ 57 , 58 ], Ni 3 TeO 6 [ 59 , 60 ], (Fe, Mn) 2 Mo 3 O 8 [ 61–63 ], Co 4 Nb 2 O 9 [ 64 ], Mn 2 MnWO 6 [ 65 ], RFe 3 (BO 3 ) 4 [ 66–68 ], KCu 3 As 2 O 7 (OD) 3 [ 69 ], NaFeSi 2 O 6 [ 70 ], In 2 NiMnO 6 [ 71 ], and so on. Certainly, this list should not exclude materials other than oxides, and compounds with other anions such as S and Se have been revealed to show type-II multiferroicity too, including CaOFeS [ 72 ], MnSb 2 S 4 [ 73 ], BaFe 2 Se 3 [ 74 ], Cu 3 Bi(SeO 3 ) 2 O 2 Cl [ 75 ], CsCuCl 3 [ 76 ], and CuBr 2 [ 77 ]. …”
Section: Type-ii Multiferroicsmentioning
confidence: 99%
“…2D triangular lattices are typically geometrically frustrated lattices for antiferromagnets, such as CuFeO 2 , Ba 3 NiNb 2 O 9 , and a number of isostructures [ 81–84 ]. Usually the 120 o non-collinear spin order (Y-type antiferromagnetism) is stabilized by nearest-neighbor antiferromagnetic exchanges, if the second nearest-neighbor exchange and the magnetocrystalline anisotropy are weak [ 85 ]. Such non-collinear spin texture can induce a tiny polarization perpendicular to the spin plane [ 81–84 ].…”
Section: Magnetoelectricity In Concrete Multiferroic Systemsmentioning
confidence: 99%
“…Usually the 120 o non-collinear spin order (Y-type antiferromagnetism) is stabilized by the nearest-neighbor antiferromagnetic exchanges, if the second nearest-neighbor exchange and the magnetocrystalline anisotropy are weak [85]. Such non-collinear spin texture can induce a tiny polarization perpendicular to the spin plane [81][82][83][84].…”
Section: Other Magnetoelectric Mechanisms In Multiferroicsmentioning
confidence: 99%
“…This has allowed the prediction of new functional compounds by stacking complementary layers of distinct chemical natures 14 -15 . The polar layered oxysulfide CaOFeS, a member of a family including non-linear optical materials, exhibit uncommon heteroleptic FeS 3 O tetrahedra and was investigated for magnetodielectric and photovoltaic effects 16,17 . Other peculiar electronic and magnetic behaviors 18 -19 -20 are found among oxychalcogenides.…”
mentioning
confidence: 99%
“…Comparatively, the layered CaOFeS and spin ladders Ba(Sr)Fe 2 S 2 O phases described above show a partial long range AFM ordering and (canted)-AFM ordering respectively. The behavior of CaOFeS is related to its frustrated triangular sheets and shows complex magnetodielectric effects 16,17,50 . The later phases are remarkable examples of 2D magnetic units based on FeS 3 O entities.…”
mentioning
confidence: 99%