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

912 citations

Showing 2016 · cond-mat.mtrl-sciShow all

8 papers · 2 filters

cond-mat.mtrl-sci2016★ 51 cited

Insight into dielectric response of ferroelectric relaxors by statistical modeling

J. Liu, F. Li, Y. Zeng +4

Ferroelectric relaxors are complex materials with distinct properties. The understanding of their dielectric susceptibility, which strongly depends on both temperature and probing…

cond-mat.mtrl-sci2016★ 6 cited

Simulating the radiofrequency dielectric response of relaxor ferroelectrics: Combination of Coarse-Grained Hamiltonians and Kinetic Monte Carlo

Gregory Geneste, L. Bellaiche, Jean-Michel Kiat

The radiofrequency dielectric response of the lead-free Ba(ZrTi)O relaxor ferroelectric is simulated using a coarse-grained Hamiltonian. This concept, taken fro…

cond-mat.mtrl-sci2016★ 47 cited

Anomalous orbital structure in a spinel-perovskite interface -AlO/SrTiO

Yanwei Cao, Xiaoran Liu, P. Shafer +8

In all archetypical reported (001)-oriented perovskite heterostructures, it has been deduced that the preferential occupation of two-dimensional electron gases is in-plane $d_\text…

cond-mat.mtrl-sci2016★ 3 cited

Surface Reactivity Enhancement by O2 Dissociation on a Single-layer MgO Film Deposited on Metal Substrate

Cequn Li, Jing Fan, Bin Xu +1

Improving reactivity on an insulating surface is crucial due to their important applications in surface catalytic reactions. In this work, we carried out first-principles calculati…

cond-mat.mtrl-sci2016★ 161 cited

Slow Auger Recombination of Charged Excitons in Nonblinking Perovskite Nanocrystals without Spectral Diffusion

Fengrui Hu, Chunyang Yin, Huichao Zhang +6

Over the last two decades, intensive research efforts have been devoted to the suppressions of photoluminescence (PL) blinking and Auger recombination in metal-chalcogenide nanocry…

cond-mat.mtrl-sci2016★ 34 cited

Non-monotonic anisotropy in charge conduction induced by antiferrodistortive transition in metallic SrTiO

Qian Tao, Bastien Loret, Bin Xu +6

Cubic SrTiO becomes tetragonal below 105 K. The antiferrodistortive (AFD) distortion leads to clockwise and counter-clockwise rotation of adjacent TiO octahedra. This i…

cond-mat.mtrl-sci2016★ 120 cited

Structural phase transition and material properties of few-layer monochalcogenides

Mehrshad Mehboudi, Benjamin M. Fregoso, Yurong Yang +6

GeSe and SnSe monochalcogenide monolayers and bilayers undergo a two-dimensional phase transition from a rectangular unit cell to a square unit cell at a temperature well bel…

cond-mat.mtrl-sci2016★ 29 cited

Efficient Thermal Conductance in Organometallic Perovskite CH3NH3PbI3 Films

Qi Chen, Chunfeng Zhang, Mengya Zhu +10

Perovskite-based optoelectronic devices have shown great promise for solar conversion and other optoelectronic applications, but their long-term performance instability is regarded…