Intrinsic point defects in off-stoichiometric Cu2ZnSnSe4: A neutron diffraction study

In situ powder neutron diffraction study of non-stoichiometric phase formation during the hydrogenation of Li3N.

The hydrogenation of Li3N at low chemical potential has been studied in situ by time-of-flight powder neutron diffraction and the formation of a non-stoichiometric Li4-2xNH phase and Li4NH observed. The results are interpreted in terms of a model for the reaction pathway involving the production of Li4NH and Li2NH, which subsequently react together to form Li4-2xNH. Possible mechanisms for the ...

A Neutron diffraction study of multiferroics RMn2O5

The magnetic properties of RMn2O5 multiferrroics as obtained by unpolarized and polarized neutron diffraction experiments are reviewed. We discuss the qualitative features of the magnetic phase diagram both in zero magnetic field and in field and analyze the commensurate magnetic structure and its coupling to an applied electric field. The origin of ferrolectricity is discussed based on calcula...

New Insights into Intrinsic Point Defects in V2VI3 Thermoelectric Materials

Defects and defect engineering are at the core of many regimes of material research, including the field of thermoelectric study. The 60-year history of V2VI3 thermoelectric materials is a prime example of how a class of semiconductor material, considered mature several times, can be rejuvenated by better understanding and manipulation of defects. This review aims to provide a systematic accoun...

Computing Diffusion Coefficients of Intrinsic Point Defects in Crystalline Silicon

The quality of crystalline silicon highly influences the quality of semiconductor devices fabricated with it. Grown-in defects, such as octahedral voids or networks of large dislocation loops can be detrimental to the functionality of devices. Both type of defects result from the interaction of intrinsic point defects, vacancies and self-interstitials during growth and subsequent annealing of t...

Atomistic Simulations of Intrinsic and Extrinsic Point Defects in Uranium