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

912 citations

Showing 2014 · cond-mat.mtrl-sciShow all

8 papers · 2 filters

cond-mat.mtrl-sci2014★ 28 cited

Polarization-dependent exciton dynamics in tetracene single crystals

Bo Zhang, Chunfeng Zhang, Yanqing Xu +6

We conduct polarization-dependent ultrafast spectroscopy to study the dynamics of singlet fission in tetracene single crystals. The spectrotemporal species for singlet and triplet…

cond-mat.mtrl-sci2014★ 31 cited

Prediction of a Stable Post-Post-Perovskite Structure from First Principles

Changsong Xu, Bin Xu, Yurong Yang +6

A novel stable crystallographic structure is discovered in a variety of ABO3, ABF3 and A2O3 compounds (including materials of geological relevance, prototypes of multiferroics, exh…

cond-mat.mtrl-sci2014★ 81 cited

Predicting a Ferrimagnetic Phase of Zn2FeOsO6 with Strong Magnetoelectric Coupling

P. S. Wang, W. Ren, L. Bellaiche +1

Multiferroic materials, in which ferroelectric and magnetic ordering coexist, are of fundamental interest for the development of novel memory devices that allow for electrical writ…

cond-mat.mtrl-sci2014★ 13 cited

Electric dipole sheets in BaTiO/BaZrO superlattices

Zhijun Jiang, Bin Xu, Fei Li +2

We investigate two-dimensional electric dipole sheets in the superlattice made of BaTiO and BaZrO using first-principles-based Monte-Carlo simulations and density funct…

cond-mat.mtrl-sci2014★ 101 cited

First-principles study of the multi-mode anti-ferroelectric transition of PbZrO3

Jorge Iniguez, Massimiliano Stengel, Sergey Prosandeev +1

We have studied ab initio the phase transition in PbZrO3, a perovskite oxide usually presented as the prototypic anti-ferroelectric material. Our work reveals the crucial role that…

cond-mat.mtrl-sci2014★ 18 cited

Prediction of novel interface-driven spintronic effects

Satadeep Bhattacharjee, Surendra Singh, Dawei Wang +2

The recently-proposed coupling between the angular momentum density and magnetic moment [A. Raeliarijaona et al, Phys. Rev. Lett. 110, 137205 (2013)] is shown here to result in the…

cond-mat.mtrl-sci2014★ 19 cited

Superlinear density dependence of singlet fission rate in tetracene films

Bo Zhang, Chunfeng Zhang, Rui Wang +6

We experimentally show that the rate of singlet fission in tetracene films has a superlinear dependence on the density of photo-excited singlet excitons with ultrafast transient ab…

cond-mat.mtrl-sci2014★ 57 cited

Ultrafast switching of the electric polarization and magnetic chirality in BiFeO3 by an electric field

Satadeep Bhattacharjee, Dovran Rahmedov, Dawei Wang +2

Using a first-principles-based effective Hamiltonians within molecular dynamics simulations, we discover that applying an electric field that is opposite to the initial direction o…