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Giant spin Hall effect in two-dimensional monochalcogenides (open access)

Giant spin Hall effect in two-dimensional monochalcogenides

This article, using calculations from first principles, reveals for the first time giant intrinsic spin Hall conductivities (SHC) in these materials. In particular, the article shows that the SHC resonances can be easily tuned by combination of strain and doping and, in some cases, strain can be used to induce semiconductor to metal transition that makes a giant spin Hall effect possible even in absence of doping.
Date: October 30, 2018
Creator: Sławińska, Jagoda; Cerasoli, Frank T.; Wang, Haihang; Postorino, Sara; Supka, Andrew; Curtarolo, Stefano et al.
System: The UNT Digital Library
AFLOW-QHA3P: Robust and automated method to compute thermodynamic properties of solids (open access)

AFLOW-QHA3P: Robust and automated method to compute thermodynamic properties of solids

Article introducing the quasiharmonic approximation three-phonon method to calculate the thermodynamic properties of both nonmetallic and metallic compounds. This study demonstrates that QHA3P is an ideal framework for the high-throughput prediction of finite-temperature material properties, combining the accuracy of QHA with the computational efficiency of SC-QHA.
Date: July 8, 2019
Creator: Nath, Pinku; Usanmaz, Demet; Hicks, David; Oses, Corey; Fornari, Marco; Buongiorno Nardelli, Marco et al.
System: The UNT Digital Library
Influence of coherent population trapping on Raman scattering (open access)

Influence of coherent population trapping on Raman scattering

Article considering the Raman scattering in molecular media. Applying two laser fields in a two-photon resonance with vibrational transition, the authors study the role of rotational levels for excitation of vibrational coherence. It is shown that the molecular vibrational coherence strongly depends on the effect of coherent population trapping for rotational levels. The obtained results are important for applications of Raman spectroscopy to molecular detection in engineering, chemical, and biological applications.
Date: August 8, 2019
Creator: Singh, Pooja; Rostovtsev, Yuri V.; Patnaik, Anil K.; Roy, Sukesh & Gord, James R.
System: The UNT Digital Library