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Showing 2015 · cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci2015

Reflecting (on) the Nucleation Curve: Negative Surface Energy Stabilizes Nickel Ferrite Nano-Particles in Nuclear Reactor Coolant

C. J. O'Brien, Z. Rak, D. W. Brenner

We used a thermodynamics-informed first principles scheme, to calculate the temperature-dependent surface energies of nickel oxide (NiO) and nickel ferrite (NiFe2O4), two compounds…

cond-mat.mtrl-sci2015★ 20 cited

First-principles investigation of boron defects in nickel ferrite spinel

Zs. Rak, C. J. OBrien, D. W. Brenner

The accumulation of boron within the porous nickel ferrite (NiFe2O4, NFO) deposited on fuel rods is a major technological problem with important safety and economical implications.…

cond-mat.mtrl-sci2015★ 3 cited

Exciton-dominated Dielectric Function of Atomically Thin MoS2 Films

Yiling Yu, Yifei Yu, Yongqing Cai +8

We systematically measure the dielectric function of atomically thin MoS2 films with different layer numbers and demonstrate that excitonic effects play a dominant role in the diel…

cond-mat.mtrl-sci2015★ 226 cited

Breaking of macroscopic centric symmetry in paraelectric phases of ferroelectric materials and implications for flexoelectricity

Alberto Biancoli, Chris M. Fancher, Jacob L. Jones +1

A centrosymmetric stress cannot induce a polar response in centric materials, piezoelectricity is, for example, possible only in non-centrosymmetric structures. An exception is met…

cond-mat.mtrl-sci2015★ 27 cited

Strong interrelationship between anomalous electric-field induced lattice strain along non-polar direction and domain reorientation in pseudorhombohedral piezoelectric ceramic BiScO3-PbTiO3

Lalitha KV, Chris M. Fancher, Jacob L. Jones +1

The lattice strain and domain switching behaviour was investigated as a function of cyclic field and grain orientation for a pseudorhombohedral composition of the high Curie point…