@article{nakhmanson_nardelli_bernholc_2004, title={Ab initio studies of polarization and piezoelectricity in vinylidene fluoride and BN-based polymers}, volume={92}, number={11}, journal={Physical Review Letters}, author={Nakhmanson, S. M. and Nardelli, M. B. and Bernholc, J.}, year={2004} } @article{fabian_feldman_hellberg_nakhmanson_2003, title={Numerical study of anharmonic vibrational decay in amorphous and paracrystalline silicon}, volume={67}, number={22}, journal={Physical Review. B, Condensed Matter and Materials Physics}, author={Fabian, J. and Feldman, J. L. and Hellberg, C. S. and Nakhmanson, S. M.}, year={2003}, pages={224302–1} } @article{nakhmanson_calzolari_meunier_bernholc_nardelli_2003, title={Spontaneous polarization and piezoelectricity in boron nitride nanotubes}, volume={67}, ISSN={["1098-0121"]}, DOI={10.1103/physrevb.67.235406}, abstractNote={Ab initio calculations of the spontaneous polarization and piezoelectric properties of boron nitride nanotubes show that they are excellent piezoelectric systems with response values larger than those of piezoelectric polymers. The intrinsic chiral symmetry of the nanotubes induces an exact cancellation of the total spontaneous polarization in ideal, isolated nanotubes of arbitrary indices. Breaking of this symmetry by intertube interaction or elastic deformations induces spontaneous polarization comparable to those of wurtzite semiconductors.}, number={23}, journal={PHYSICAL REVIEW B}, author={Nakhmanson, SM and Calzolari, A and Meunier, V and Bernholc, J and Nardelli, MB}, year={2003}, month={Jun} } @article{nakhmanson_drabold_mousseau_2002, title={Comment on 'Boson peak in amorphous silicon: A numerical study'}, volume={66}, number={8}, journal={Physical Review. B, Condensed Matter and Materials Physics}, author={Nakhmanson, S. M. and Drabold, D. A. and Mousseau, N.}, year={2002}, pages={087201–1} } @article{nakhmanson_mousseau_2002, title={Crystallization study of model tetrahedral semiconductors}, volume={14}, ISSN={["0953-8984"]}, DOI={10.1088/0953-8984/14/26/303}, abstractNote={The microscopic mechanisms leading to crystallization are not yet fully understood. This is due, in part, to the lack of atomistic as well as interatomic interaction models for a wide range of materials that can lead to crystallization on a computer-simulation timescale, i.e. < 100 ns. While the nucleation in close-packed systems has been extensively studied, there are almost no numerical results for covalent tetrahedral semiconductors. We present here the simulation results of crystallization from the liquid and amorphous states of a 1000-atom model of silicon, described with a modified Stillinger–Weber potential. With this potential, it is possible to crystallize the model in as little as a few nanoseconds, which opens a door to detailed studies of the nucleation processes in covalent systems. Using topological analysis, we also present a first characterization of the structural fluctuations of the nucleation centres in this system and give a rough estimate for the critical size of these centres.}, number={26}, journal={JOURNAL OF PHYSICS-CONDENSED MATTER}, author={Nakhmanson, SM and Mousseau, N}, year={2002}, month={Jul}, pages={6627–6638} }