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19952026
most citedThe virtual crystal approximation revisited: Application to dielectric and piezoelectric properties of perovskites

912 citations

Showing 2017 · cond-mat.mtrl-sciShow all

8 papers · 2 filters

cond-mat.mtrl-sci2017★ 15 cited

Strain-induced effects in the electronic and spin properties of a monolayer of ferromagnetic GdAg2

Alexander Correa, Bin Xu, Matthieu J. Verstraete +1

We report on the structural, electronic and magnetic properties of a monolayer of GdAg2, forming a moiré pattern on Ag(111). Combining scanning tunneling microscopy and ab-initio s…

cond-mat.mtrl-sci2017★ 63 cited

Cooperative Couplings between Octahedral Rotations and Ferroelectricity in Perovskites

Teng Gu, Timothy Scarbrough, Yurong Yang +3

The structure of ABO3 perovskites is dominated by two types of unstable modes, namely, the oxygen octahedral rotation (AFD) and ferroelectric (FE) mode. It is generally believed th…

cond-mat.mtrl-sci2017★ 30 cited

Quantum oscillation evidence of topological semimetal phase in ZrSnTe

Jin Hu, Yanglin Zhu, David Graf +2

The layered WHM - type (W=Zr/Hf/La, H=Si/Ge/Sn/Sb, M=S/Se/Te) materials represent a large family of topological semimetals, which provides an excellent platform to study the evolut…

cond-mat.mtrl-sci2017★ 315 cited

Photoferroelectric oxides

I. Fina, C. Paillard, B. Dkhil

Giant photovoltaic effect due to bulk photovoltaic effect observed in multiferroic BiFeO3 thin films has triggered a renewed interest on photoferroelectric materials for photovolta…

cond-mat.mtrl-sci2017★ 122 cited

Large elasto-optic effect and reversible electrochromism in multiferroic BiFeO3

D. Sando, Yurong Yang, E. Bousquet +8

The control of optical fields is usually achieved through the electro-optic or acousto-optic effect in single-crystal ferroelectric or polar compounds such as LiNbO3 or quartz. In…

cond-mat.mtrl-sci2017★ 43 cited

Ramp Reversal Memory and Phase-Boundary Scarring in Transition Metal Oxides

Naor Vardi, Elihu Anouchi, Tony Yamin +5

Transition metal oxides (TMOs) are complex electronic systems which exhibit a multitude of collective phenomena. Two archetypal examples are VO2 and NdNiO3, which undergo a metal-i…

cond-mat.mtrl-sci2017★ 33 cited

Electrocaloric effects in the lead-free Ba(Zr,Ti)O relaxor ferroelectric from atomistic simulations

Zhijun Jiang, Sergei Prokhorenko, Sergey Prosandeev +5

Atomistic effective Hamiltonian simulations are used to investigate electrocaloric (EC) effects in the lead-free Ba(ZrTi)O (BZT) relaxor ferroelectric. We fin…

cond-mat.mtrl-sci2017★ 62 cited

Rules and mechanisms governing octahedral tilts in perovskites under pressure

H. J. Xiang, Mael Guennou, Jorge Íñiguez +2

The rotation of octahedra (octahedral tilting) is common in ABO3 perovskites and relevant to many physical phenomena, ranging from electronic and magnetic properties, metal-insulat…