Showing 2014 · cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci2014★ 215 cited

Ferroelectricity and Rashba effect in GeTe

C. Rinaldi, D. Di Sante, A. Giussani +9

GeTe has been proposed as the father compound of a new class of functional materials displaying bulk Rashba effects coupled to ferroelectricity: ferroelectric Rashba semiconductors…

cond-mat.mtrl-sci2014★ 8 cited

Elimination of surface diffusion in the non-diagonal phase field model

G. Boussinot, Efim A. Brener, C. Hueter +1

We present a non-diagonal phase field model for phase transformations with unequal but finite diffusivities in the two phases. This model allows to recover the desired boundary con…

cond-mat.mtrl-sci2014★ 426 cited

Anisotropic intrinsic lattice thermal conductivity of phosphorene from first principles

Guangzhao Qin, Qing-Bo Yan, Zhenzhen Qin +3

Phosphorene, the single layer counterpart of black phosphorus, is a novel two-dimensional semiconductor with high carrier mobility and a large fundamental direct band gap, which ha…

cond-mat.mtrl-sci2014★ 13 cited

Modeling of grain boundary dynamics using amplitude equations

Claas Hüter, Jörg Neugebauer, Guillaume Boussinot +3

We discuss the modelling of grain boundary dynamics within an amplitude equations description, which is derived from classical density functional theory or the phase field crystal…

cond-mat.mtrl-sci2014★ 30 cited

The typical manners of dynamic crack propagation along the metal/ceramics interfaces: A molecular dynamics study

Yanguang Zhou, Zhenyu Yang, Tao Wang +2

This letter addresses the issue of interfacial crack propagation mechanisms on various interfaces with using molecular dynamics. Four different interfacial crack propagation manner…

cond-mat.mtrl-sci2014★ 85 cited

On the spheroidized carbide dissolution and elemental partitioning in a high carbon bearing steel 100Cr6

Wenwen Song, Pyuck-Pa Choi, Gerhard Inden +3

We report on the characterization of high carbon bearing steel 100Cr6 using electron microscopy and atom probe tomography in combination with multi-component diffusion simulations…