Zobrazeno 1 - 10
of 253
pro vyhledávání: '"J. Furthmüller"'
Publikováno v:
APL Materials, Vol 3, Iss 10, Pp 106106-106106-9 (2015)
The dielectric tensor of Ga2O3 in the monoclinic (β) phase was determined by generalized spectroscopic ellipsometry in a wide spectral range from 0.5 eV to 8.5 eV as well as by density functional theory calculations combined with many-body perturbat
Externí odkaz:
https://doaj.org/article/397b7c60174848d898cdb9bb4069eac4
Publikováno v:
AIP Advances, Vol 3, Iss 1, Pp 012102-012102 (2013)
We study the incorporation of Mg atoms into the InN(0001) surface. Energies and atomic geometries are described within density functional theory, while the electronic structure is investigated by an approximate quasiparticle method that yields a gap
Externí odkaz:
https://doaj.org/article/94c1463a36d145ab8669a3b3693e0336
Akademický článek
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Akademický článek
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Publikováno v:
Journal of Applied Physics. 92:7109-7113
Thermodynamic, structural, and electronic properties of cubic InxAl1−xN alloys are studied by combining first-principles total energy calculations and the generalized quasichemical approach. Results for bond-lengths, second-nearest-neighbors distan
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::407c343c866f7bb01b1c16aeacbc70a5
https://doi.org/10.1063/1.1518136
https://doi.org/10.1063/1.1518136
Publikováno v:
Physical Review B. 54:1729-1734
Ab initio calculations of cohesive properties, elastic constants, and phonon dispersions for ${\mathrm{CoSi}}_{2}$ were performed by means of the Vienna ab initio molecular-dynamics package (VAMP), which makes use of ultrasoft pseudopotentials. In ad
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f0636da6cd593640bb798c0c756081d9
https://doi.org/10.1103/physrevb.54.1729
https://doi.org/10.1103/physrevb.54.1729
Publikováno v:
Journal of Physics: Condensed Matter. 7:2001-2019
The asymptotic form of the image interaction is derived for a classical external point charge at a distance z1 outside a periodic metallic surface, generalizing to real metals the analytical result of Lang and Kohn (1973) for jellium. The centre of g
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::463f71eba9a7ebca4fdb9a09059ca03c
https://doi.org/10.1088/0953-8984/7/10/009
https://doi.org/10.1088/0953-8984/7/10/009
Autor:
J. Furthmüller, Manfred Fähnle
Publikováno v:
Physical Review B. 46:3839-3848
We report on parameter-free, self-consistent supercell calculations within the framework of an ab initio pseudopotential method of the electronic structure, total energies, and structural relaxation of chalcogen atoms (S, Se, Te) in silicon. Special
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::edca2b34090f002a671c2970500b0625
https://doi.org/10.1103/physrevb.46.3839
https://doi.org/10.1103/physrevb.46.3839
Autor:
Manfred Fähnle, J. Furthmüller
Publikováno v:
physica status solidi (a). 117:K71-K75
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::be2c689cd4473c7b57bb370e140530b3
https://doi.org/10.1002/pssa.2211170152
https://doi.org/10.1002/pssa.2211170152
Autor:
Christian Elsässer, J. Furthmüller, R. Pawellek, Manfred Fähnle, Michael C. Böhm, Ernst Helmut Brandt
Publikováno v:
Physica B: Condensed Matter. 161:225-231
The theory of magnetostriction in amorphous ferromagnets is developed in two steps. In the microscopic part the local magnetic anisotropy for a computer generated model of amorphous iron is calculated by a semi-empirical Hartree-Fock perturbation app
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::33e35d03c1aa5cf48c08a4f2bfb65fee
https://doi.org/10.1016/0921-4526(89)90139-7
https://doi.org/10.1016/0921-4526(89)90139-7