Zobrazeno 1 - 10
of 732
pro vyhledávání: '"Draxl, C."'
Publikováno v:
Commun. Appl. Math. Comput. Sci. 15 (2020) 89-113
We present a method to construct an efficient approximation to the bare exchange and screened direct interaction kernels of the Bethe-Salpeter Hamiltonian for periodic solid state systems via the interpolative separable density fitting technique. We
Externí odkaz:
http://arxiv.org/abs/1907.02827
Publikováno v:
Phys. Rev. Lett. 124, 077001 (2020)
The zone-center $E_{2g}$ modes play a crucial role in MgB$_2$, controlling the scattering mechanisms in the normal state as well the superconducting pairing. Here, we demonstrate via first-principles quantum-field theory calculations that, due to the
Externí odkaz:
http://arxiv.org/abs/1904.03062
First-principles study of elastic and thermal properties of scheelite-type molybdates and tungstates
Publikováno v:
In Materials Today Communications September 2020 24
Autor:
Pichugina, Y. L., Banta, R. M., Bonin, T., Brewer, W. A., Choukulkar, A., McCarty, B. J., Baidar, S., Draxl, C., Fernando, H. J. S., Kenyon, J., Krishnamurthy, R., Marquis, M., Olson, J., Sharp, J., Stoelinga, M.
Publikováno v:
Journal of Applied Meteorology and Climatology, 2019 Aug 01. 58(8), 1633-1656.
Externí odkaz:
https://www.jstor.org/stable/26846283
Autor:
Spitaler, J., Shneyder, E. I., Kokorina, E. E., Nekrasov, I. A., Gavrichkov, V. A., Ambrosch-Draxl, C., Ovchinnikov, S. G.
We present ab initio results for the electron-phonon interaction of the \Gamma-point phonons in the tetragonal high-temperature phase of La2CuO4. Eigenfrequencies and eigenvectors for the symmetry-allowed phonon modes are calculated with the full-pot
Externí odkaz:
http://arxiv.org/abs/1310.6872
The methodology used to obtain the values of the spin-orbit couplings from the spin expectation values from perturbation theory was incorrect. As a result Figs. 2 and 3 are incorrect.
Comment: This paper has been withdrawn
Comment: This paper has been withdrawn
Externí odkaz:
http://arxiv.org/abs/0907.4149
Publikováno v:
Phys. Rev. B 80, 235431 (2009)
The electronic band structure of graphene in the presence of spin-orbit coupling and transverse electric field is investigated from first principles using the linearized augmented plane-wave method. The spin-orbit coupling opens a gap at the $K(K')$-
Externí odkaz:
http://arxiv.org/abs/0904.3315
Autor:
Ambrosch-Draxl, C., Sherman, E. Ya.
We theoretically investigate inhomogeneity effects on the charges, electric field gradients and site-projected densities of states in HgBa$_2$CuO$_{4+\delta}$. We find pronounced differences in the doping-induced number of holes at different atomic s
Externí odkaz:
http://arxiv.org/abs/cond-mat/0602047
Autor:
Sharma, S., Dewhurst, J. K., Ambrosch-Draxl, C., Kurth, S., Helbig, N., Pittalis, S., Gross, E. K. U., Shallcross, S., Nordstroem, L.
A description of non-collinear magnetism in the framework of spin-density functional theory is presented for the exact exchange energy functional which depends explicitly on two-component spinor orbitals. The equations for the effective Kohn-Sham sca
Externí odkaz:
http://arxiv.org/abs/cond-mat/0510800
Exact exchange (EXX) Kohn-Sham calculations within an all-electron full-potential method are performed on a range of semiconductors and insulators (Ge, GaAs, CdS, Si, ZnS, C, BN, Ne, Ar, Kr and Xe). We find that the band-gaps are not as close to expe
Externí odkaz:
http://arxiv.org/abs/cond-mat/0501353