Zobrazeno 1 - 10
of 78
pro vyhledávání: '"Marianetti, C."'
Autor:
Bandi, Sasaank, Marianetti, C. A.
Computing phonons from first-principles is typically considered a solved problem, yet inadequacies in existing techniques continue to yield deficient results in systems with sensitive phonons. Here we circumvent this issue using the lone irreducible
Externí odkaz:
http://arxiv.org/abs/2210.15636
Autor:
Vallejo, K. D., Kabir, F., Poudel, N., Marianetti, C. A., Hurley, D. H., Simmonds, P. J., Dennett, C. A., Gofryk, K.
Actinide-based compounds exhibit unique physics due to the presence of 5f electrons, and serve in many cases as important technological materials. Targeted thin film synthesis of actinide materials has been successful in generating high-purity specim
Externí odkaz:
http://arxiv.org/abs/2204.10444
Autor:
Edelberg, D., Rhodes, D., Kerelsky, A., Kim, B., Wang, J., Zangiabadi, A., Kim, C., Abhinandan, A., Ardelean, J., Scully, M., Scullion, D., Embon, L., Zhang, I., Zu, R., Santos, Elton J. G., Balicas, L., Marianetti, C., Barmak, K., Zhu, X. -Y., Hone, J., Pasupathy, A. N.
Publikováno v:
Nano Lett. 2019, 19, 7, 4371-4379
Two dimensional (2D) transition-metal dichalcogenide (TMD) based semiconductors have generated intense recent interest due to their novel optical and electronic properties, and potential for applications. In this work, we characterize the atomic and
Externí odkaz:
http://arxiv.org/abs/1805.00127
Autor:
Guguchia, Z., Rohr, F. v., Shermadini, Z., Lee, A. T., Banerjee, S., Wieteska, A. R., Marianetti, C. A., Luetkens, H., Gong, Z., Frandsen, B. A., Cheung, S. C., Baines, C., Shengelaya, A., Pasupathy, A. N., Morenzoni, E., Billinge, S. J. L., Amato, A., Cava, R. J., Khasanov, R., Uemura, Y. J.
Publikováno v:
Nature Communications 8, 1082 (2017)
MoTe_2, with the orthorhombic T_d phase, is a new type (type-II) of Weyl semimetal, where the Weyl Fermions emerge at the boundary between electron and hole pockets. Non-saturating magnetoresistance (MR), and superconductivity were also observed in T
Externí odkaz:
http://arxiv.org/abs/1704.05185
Publikováno v:
Phys. Rev. Lett. 113, 105501 (2014)
Here we introduce a new approach to compute the finite temperature lattice dynamics from first-principles via the newly developed slave mode expansion. We study PbTe where inelastic neutron scattering (INS) reveals strong signatures of nonlinearity a
Externí odkaz:
http://arxiv.org/abs/1312.6109
Publikováno v:
Phys. Rev. B 86, 195136 (2012)
Dynamical mean field theory calculations are used to show that for late transition-metal-oxides a critical variable for the Mott/charge-transfer transition is the number of d-electrons, which is determined by charge transfer from oxygen ions. Insulat
Externí odkaz:
http://arxiv.org/abs/1110.2782
Publikováno v:
Phys. Rev. Lett. 107, 206804 (2011)
Dynamical mean field methods are used to calculate the phase diagram, many-body density of states, relative orbital occupancy and Fermi surface shape for a realistic model of $LaNiO_3$-based superlattices. The model is derived from density functional
Externí odkaz:
http://arxiv.org/abs/1105.0016
Publikováno v:
Phys. Rev. Lett. 106, 096402 (2011)
The dynamical mean-field concept of approximating an unsolvable many-body problem in terms of the solution of an auxiliary quantum impurity problem, introduced to study bulk materials with a continuous energy spectrum, is here extended to molecules,
Externí odkaz:
http://arxiv.org/abs/1010.3180
A combination of Density Functional Theory and the Dynamical Mean Field theory (DMFT) is used to calculate the magnetic susceptibility, heat capacity, and the temperature dependence of the valence band photoemission spectra. The continuous-time hybri
Externí odkaz:
http://arxiv.org/abs/0805.1604
Publikováno v:
Phys. Rev. B 77, 035107 (2008)
We revisit Nagaoka ferromagnetism in the U=oo Hubbard model within the dynamical mean-field theory (DMFT) using the recently developed continuous time quantum Monte Carlo method as the impurity solver. The stability of Nagaoka ferromagnetism is studi
Externí odkaz:
http://arxiv.org/abs/0708.4240