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G. Bobel, P. Cortona, C. Sommers and F. G. Fumi,
Electron density in NaF and KCl crystals in the self-consistent
local-density-functional approximation (LDA),
Acta Cryst. A 39, 400-407 (1983).
H. W. A. M. Rompa, M. F. H. Schuurmans, and F. Williams,
Predicted modifications in the direct and indirect gaps of tetrahedral
semiconductors,
Phys. Rev. Lett. 52, 675-678 (1984).
H. W. A. M. Rompa and M. F. H. Schuurmans,
Electronic properties of semiconductors,
Nederl. Tijdschr. Natuurk. A 50, 107-110 (1984).
B. E. Larson, K. C. Hass, H. Ehrenreich and A. E. Carlsson,
Exchange Mechanisms in Diluted Magnetic Semiconductors,
Solid State Commun. 56, 347-350 (1985).
A. E. Carlsson,
Simplified electrostatic model for band-gap underestimates in the
local-density approximation,
Phys. Rev. B 31, 5178-5182 (1985).
F. Springelkamp, R. A. de Groot, W. Geertsma, W. van der Lugt
and F. M. Mueller,
Electronic structure of semiconducting β-NaSn,
Phys. Rev. B 32, 2319-2325 (1985).
G. Bobel, P. Cortona, C. Sommers and F. G. Fumi,
Electron density in KCl and LiF crystals in the self-consistent
local-density-functional approximation (LDA),
Acta Cryst. A 41, 175-177 (1985).
G. Bobel, P. Cortona and C. Sommers,
Electron density in RbBr and CsI crystals in the self-consistent
local-density-functional approximation (LDA),
Acta Cryst. A 41, 618-619 (1985).
H. W. A. M. Rompa, R. Eppenga and M. F. H. Schuurmans,
Ab initio determinations of oscillator strengths of metals and
semiconductors from ASW,
Physica B 145, 5-15 (1987).
W. Folkerts, G. A. Sawatzky, C. Haas, R. A. de Groot and F. U. Hillebrecht,
Electronic structure of some 3D transition-metal pyrites,
J. Phys. C 20, 4135-4144 (1987).
R. Coehoorn, C. Haas, J. Dijkstra, C. J. F. Flipse, R. A. de Groot and
A. Wold,
Electronic structure of MoSe2, MoS2, and
WSe2. I. Band-structure calculations and photoelectron
spectroscopy,
Phys. Rev. B 35, 6195-6202 (1987).
R. Coehoorn, C. Haas and R. A. de Groot,
Electronic structure of MoSe2, MoS2, and
WSe2. II. The nature of the optical band gaps,
Phys. Rev. B 35, 6203-6206 (1987).
J. S. Cohen and A. G. Schlijper,
Long-range order in AlxGa1-xAs,
Phys. Rev. B 36, 1526-1530 (1987).
M. F. H. Schuurmans, H. W. A. M. Rompa, and R. Eppenga,
Possibility of green light emission from GaP/AlP (001)
superlattices,
J. Lumin. 37, 269-273 (1987).
V. Eyert, J. Sticht and J. Kübler,
Itinerant magnetism in K2NiF4-type
compounds,
Helv. Phys. Acta 61, 496-504 (1988).
J. Kübler, V. Eyert and J. Sticht,
Itinerant magnetism in K2NiF4-type
compounds,
Physica C 153-155, 1237-1238 (1988).
B. E. Larson, K. C. Hass, H. Ehrenreich and A. E. Carlsson,
Theory of exchange interactions and chemical trends in diluted magnetic
semiconductors,
Phys. Rev. B 37, 4137-4154 (1988).
R. Eppenga and M. F. H. Schuurmans,
Thin [001] and [110] GaAs/AlAs superlattices: Distinction between direct
and indirect semiconductors,
Phys. Rev. B 38, 3541-3544 (1988).
R. Eppenga, M. F. H. Schuurmans, and H. W. A. M. Rompa,
Ab-initio determinations of semiconductor spin-orbit splittings
from ASW,
J. Phys. Chem. Solids 49, 1119-1124 (1988).
R. Eppenga,
Ab initio band-structure calculation of the semiconductor
β-FeSi2,
J. Appl. Phys. 68, 3027-3031 (1990).
K. C. Mishra, K. H. Johnson, P. C. Schmidt, B. G. DeBoer, J. Olsen,
and E. A. Dale,
Bands versus bonds in sulfides: Theoretical investigation of the
luminescence of copper in zinc sulfide,
Phys. Rev. B 43, 14188-14195 (1991).
L. P. Nedelmann, K. C. Mishra, J. Sticht and P. C. Schmidt,
Theoretical investigation on the luminescence transition probabilities
in the Phosphor ZnO:Cu,
Ber. Bunsenges. Phys. Chem. 96, 1765-1770 (1992).
J. Kübler, A. E. Kumm, H. Overhof, P. Schwalbach, M. Hartick,
E. Kankeleit, B. Keck, L. Wende, R. Sielemann,,
Isomer-shift of interstitial and substitutional iron in Silicon
and Germanium,
Z. Physik B 92, 155-162 (1993).
V. Eyert and K.-H. Höck,
Electronic structure, itinerant magnetism and orbital ordering in
K2NiF4-type compounds,
J. Phys.: Cond. Matt. 5, 2987-3002 (1993).
K. C. Mishra, K. H. Johnson and P. C. Schmidt,
A comparative study of electronic structure of alkaline earth sulfides as
hosts for phosphors,
Mat. Science Eng. B 18, 214-219 (1993).
K. C. Mishra, K. H. Johnson and P. C. Schmidt,
A comparative study of the electronic structures of titanium dioxide and
strontium titanate,
J. Phys. Chem. Solids 54, 237-242 (1993).
K. Kuriyama, T. Kato, and T. Tanaka,
Optical band gap of the filled tetrahedral semiconductor LiZnN,
Phys. Rev. B 49, 4511-4513 (1994).
V. Eyert, K.-H. Höck and P. S. Riseborough,
The electronic structure of La2BaCuO5:
A magnetic insulator,
Europhys. Lett. 31, 385-391 (1995).
K. C. Mishra, K. H. Johnson and P. C. Schmidt,
Electronic structure of antimony-doped tin oxide,
Phys. Rev. B 51, 13972-13976 (1995).
T. Yamamoto and H. Katayama-Yoshida,
Influence of Intrinsic Defects on the Electronic Structure of
Non-stoichometric CuInS2 Chalcopyrite Semiconductors,
Mat. Sci. Forum 196-201, 1667-1672 (1995).
T. Yamamoto and H. Katayama-Yoshida,
Physics and Control of Conduction Type in CuInS2 with Defect
Chalcopyrite Structure,
Jpn. J. Appl. Phys. 34, L1584-L1587 (1995).
T. Yamamoto and H. Katayama-Yoshida,
The Electronic Structure of Non-stoichometric CuInS2 and
the Study of Defect Levels of CuInS2 with Chalcopyrite
Structure,
Cryst. Res. Techn. 31, 97-100 (1995).
M.-A. Perrin and E. Wimmer,
Color of pure and alkali-doped cerium sulfide: A local-density-functional
study,
Phys. Rev. B 54, 2428-2435 (1996).
T. Yamamoto and H. Katayama-Yoshida,
Electronic Structures and Effects of S Substitutions in
CuIn(S0.875X0.125)2
(X=O, N, P, C, Si or B),
Jpn. J. Appl. Phys. 35, L370-L373 (1996).
T. Yamamoto and H. Katayama-Yoshida,
P-type Doping of the Group V Elements in CuInS2,
Jpn. J. Appl. Phys. 35, L1562-L1565 (1996).
T. Yamamoto and H. Katayama-Yoshida,
Electronic structures of p-type doped CuInS2,
Thin Films for Photovoltaic and Related Device Applications,
edited by D. Ginley, A. Catalano, H. W. Schock, C. Eberspacher,
T. M. Peterson, and T. Wada,
Mat. Res. Soc. Symp. Proc. 426, 201-206 (1996).
B. Siberchicot, T. Mallah and M. Verdaguer,
Theoretical study of high-TC molcular-based cyanide
magnets,
J. Magn. Magn. Mat. 157-158, 417-418 (1996).
K. C. Mishra, I. Osterloh, H. Anton, B. Hannebauer, P.C. Schmidt and
K. H. Johnson,
First principles investigation of host excitation of LaPO4,
La2O3 and AlPO4,
J. Lumin. 72-74, 144-145, (1997).
K. C. Mishra, I. Osterloh, H. Anton, B. Hannebauer, P.C. Schmidt and
K. H. Johnson,
Electronic structures and host excitation of LaPO4,
La2O3 and AlPO4,
J. Mater. Res. 12, 2183-2190, (1997).
E. Oldekop, V. Eyert, F. Niedermeyer, M. Wienecke and W.-D. Zeitz,
The behaviour of 12B in CdTe
studied with β-NMR techniques,
Mat. Sci. Forum 248-249, 267-270 (1997).
V. Eyert, B. Siberchicot and M. Verdaguer,
Magnetism and chemical bonding in the High-TC molecule-based
cyanide magnets CsM[Cr(CN)6] (M = Mn, Ni) from first
principles,
Phys. Rev. B 56, 8959-8969 (1997).
T. Yamamoto and H. Katayama-Yoshida,
Materials Design for the Fabrication of Low-Resistivity p-Type GaN
Using a Codoping Method,
Jpn. J. Appl. Phys. 36, L180-L183 (1997).
H. Katayama-Yoshida and T. Yamamoto,
Materials Design of the Codoping for the Fabrication of Low-Resistivity
p-type ZnSe and GaN by ab initio Electronic Structure
Calculations,
phys. stat. sol. (b) 202, 763-773 (1997).
T. Yamamoto and H. Katayama-Yoshida,
Control of valence states by a codoping method in
CuInS2,
Solar Energy Materials and Solar Cells 49, 391-397 (1997).
T. Yamamoto and H. Katayama-Yoshida,
A Codoping Method in GaN Proposed by ab initio Electronic Structure
Calculations,
Mat. Sci. Forum 258-263, 1185-1190 (1997).
P. Barbarat, S. Matar and G. Le Blevennec,
First-principles investigations of the electronic, optical and chemical
bonding properties of SnO2,
J. Mat. Chem. 7, 2547 (1997).
T. Yamamoto and H. Katayama-Yoshida,
Influence of intrinsic defects and S substitutions on electrical
properties of chalcopyrite CuInS2 compounds,
Proc. of 7th International Conference on Shallow-Level Centers in
Semiconductors,
edited by C. A. J. Ammerlaan and B. Pajot
(World Scientific, Singapore, 1997), pp. 477-482.
V. Eyert, K.-H. Höck, S. Fiechter and H. Tributsch,
Electronic structure of FeS2: The crucial role of
electron-lattice interaction,
Phys. Rev. B 57, 6350-6359 (1998).
P. K. de Boer and R. A. de Groot,
Conduction bands and invariant energy gaps in alkali bromides,
Eur. Phys. J. B 4, 25-28 (1998).
V. Eyert and K.-H. Höck,
The electronic structure of V2O5: Role of
octahedral deformations,
Phys. Rev. B 57, 12727-12737 (1998).
V. Serin, C. Colliex, R. Brydson, S. Matar and F. Boucher,
EELS investigations of the electron conduction band states in wurtzite
AlN and oxygen-doped AlN(O),
Phys. Rev. B 58, 5106-5115 (1998).
T. Yamamoto and H. Katayama-Yoshida,
A Codoping Method in CuInS2 Proposed by ab initio Electronic
Structure Calculations,
Inst. Phys. Conf. Ser. 152, 37-41 (1998).
T. Yamamoto and H. Katayama-Yoshida,
Role of Cl or I Codoping in Li-Doping Enhancement in ZnSe,
Jpn. J. Appl. Phys. 37, L910-L912 (1998).
T. Yamamoto and H. Katayama-Yoshida,
Role of n-type Codopants on Enhancing p-type Dopants Incorporation in
p-type Codoped ZnSe,
in:
Defect and Impurity Engineered Semiconductors and Devices II,
edited by S. Ashok, J. Chevallier, K. Sumino, B. L. Sopori, and W. Goetz,
Mat. Res. Soc. Symp. Proc. 510, 67-72 (1998).
T. Yamamoto,
Effects of Na Incorporation in p-type CuInS2,
Jpn. J. Appl. Phys. 37, L1478-L1480 (1998).
K. C. Mishra, B. G. DeBoer, P. C. Schmidt, I. Osterloh, M. Stephan,
V. Eyert and K. H. Johnson,
Electronic Structures and Nature of Host Excitation in Borates,
Ber. Bunsenges. Phys. Chem. 102, 1772-1782 (1998).
H. Katayama-Yoshida, T. Nishimatsu, T. Yamamoto and N. Orita,
Comparison Between the Thoretical Prediction of Codoping and the Recent
Experimental Evidences in p-Type Gan, AlN, ZnSe, CuInS2 and
n-Type Diamond,
phys. stat. sol. (b) 210, 429-436 (1998).
K. Büker, S. Fiechter, V. Eyert and H. Tributsch,
Photoelectrochemistry of highly Zn-doped pyrite as compared with
isostructural FeS2,
J. Electrochem. Soc. 146, 261-265 (1999).
T. Yamamoto and H. Katayama-Yoshida,
Solution Using a Codoping Method to Unipolarity for the Fabrication of
p-Type ZnO,
Jpn. J. Appl. Phys. 38, L166-L169 (1999).
M. Fieber-Erdmann, H. Rossner, E. Holub-Krappe, V. Eyert, I. Luck
and R. Scheer,
Structural properties of Zn2-2x(CuIn)xS2
(x ≤ 1) solid solution thin films obtained by EXAFS,
J. Synch. Rad. 6, 474-476 (1999).
P. C. Schmidt, V. Eyert, J. Sticht, and K. C. Mishra,
Host Excitation and Luminescence in Large Band Gap Oxides,
in: Luminescent Materials,
edited by J. McKittrick, A. Kitai, K. Mishra, C. Ronda, and B. DiBartolo,
Mat. Res. Soc. Symp. Proc. 560, 323-334 (1999).
A. Klein, S. Tiefenbacher, V. Eyert, C. Pettenkofer, and W. Jaegermann,
Electronic properties of WS2 monolayer films,
to appear in Thin Solid Films
P. Bogdanoff, M. Bron, I. Dorbandt, V. Eyert, S. Fiechter, M. Hilgendorff,
H. Schulenburg, and H. Tributsch,
Selective Ruthenium-Carbon Based Catalyst for Oxygen Reduction,
submitted to J. Electrochem. Soc..
I. Luck, V. Eyert, M. Fieber-Erdmann, E. Holub-Krappe, and R. Scheer,
Investigations on the Emergence of the Bandgap Anomaly between II-VI
and their analogous I-III-VI2 Compounds on the Basis of the
Zn2-2xCuxInxS2 Solid
Solution System,
submitted to Jap. J. Appl. Phys..
E. Rupp, F. Nowak, S. Fiechter, G. Reck, V. Eyert, N. Alonso-Vante,
and H. Tributsch,
Crystal and Electronic Structure of the Cubane-type
(Ru1-xMox)4(CO)12(μ3-Se)4 Tetramer,
submitted to J. Chem. Soc. Dalton Trans.
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