Authors:
FRAUENHEIM T
JUNGNICKEL G
SITCH P
KAUKONEN M
WEICH F
WIDANY J
POREZAG D
Citation: T. Frauenheim et al., A MOLECULAR-DYNAMICS STUDY OF N-INCORPORATION INTO CARBON SYSTEMS - DOPING, DIAMOND GROWTH AND NITRIDE FORMATION, DIAMOND AND RELATED MATERIALS, 7(2-5), 1998, pp. 348-355
Authors:
ELSTNER M
POREZAG D
JUNGNICKEL G
ELSNER J
HAUGK M
FRAUENHEIM T
SUHAI S
SEIFERT G
Citation: M. Elstner et al., SELF-CONSISTENT-CHARGE DENSITY-FUNCTIONAL TIGHT-BINDING METHOD FOR SIMULATIONS OF COMPLEX MATERIALS PROPERTIES, Physical review. B, Condensed matter, 58(11), 1998, pp. 7260-7268
Authors:
HEGGIE MI
TERRONES M
EGGEN BR
JUNGNICKEL G
JONES R
LATHAM CD
BRIDDON PR
TERRONES H
Citation: Mi. Heggie et al., QUANTITATIVE DENSITY-FUNCTIONAL STUDY OF NESTED FULLERENES, Physical review. B, Condensed matter, 57(21), 1998, pp. 13339-13342
Authors:
KAUKONEN M
SITCH PK
JUNGNICKEL G
NIEMINEN RM
POYKKO S
POREZAG D
FRAUENHEIM T
Citation: M. Kaukonen et al., EFFECT OF N AND B DOPING ON THE GROWTH OF CVD DIAMOND (100)-H(2X1) SURFACES, Physical review. B, Condensed matter, 57(16), 1998, pp. 9965-9970
Authors:
ELSNER J
HAUGK M
JUNGNICKEL G
FRAUENHEIM T
Citation: J. Elsner et al., THEORY OF GA, N AND H TERMINATED GAN(0001) (000(1)OVER-BAR) SURFACES/, Solid state communications, 106(11), 1998, pp. 739-743
Authors:
SITCH PK
JUNGNICKEL G
KAUKONEN M
POREZAG D
FRAUENHEIM T
PEDERSON MR
JACKSON KA
Citation: Pk. Sitch et al., A STUDY OF SUBSTITUTIONAL NITROGEN IMPURITIES IN CHEMICAL-VAPOR-DEPOSITED DIAMOND, Journal of applied physics, 83(9), 1998, pp. 4642-4646
Authors:
POREZAG D
JUNGNICKEL G
FRAUENHEIM T
SEIFERT G
AYUELA A
PEDERSON MR
Citation: D. Porezag et al., THEORETICAL INVESTIGATIONS OF HOMONUCLEAR AND HETERONUCLEAR BRIDGED FULLERENE OLIGOMERS, Applied physics A: Materials science & processing, 64(3), 1997, pp. 321-326
Authors:
ELSNER J
HAUGK M
JUNGNICKEL G
FRAUENHEIM T
Citation: J. Elsner et al., DENSITY-FUNCTIONAL BASED TIGHT-BINDING APPROACH TO III-V SEMICONDUCTOR CLUSTERS, Journal of materials chemistry, 6(10), 1996, pp. 1649-1656
Authors:
JUNGNICKEL G
LATHAM CD
HEGGIE MI
FRAUENHEIM T
Citation: G. Jungnickel et al., ON THE GRAPHITIZATION OF DIAMOND SURFACES - THE IMPORTANCE OF TWINS, DIAMOND AND RELATED MATERIALS, 5(1), 1996, pp. 102-112
Authors:
WIDANY J
FRAUENHEIM T
KOHLER T
STEMBERG M
POREZAG D
JUNGNICKEL G
SEIFERT G
Citation: J. Widany et al., DENSITY-FUNCTIONAL-BASED CONSTRUCTION OF TRANSFERABLE NONORTHOGONAL TIGHT-BINDING POTENTIALS FOR B, N, BN, BH, AND NH, Physical review. B, Condensed matter, 53(8), 1996, pp. 4443-4452
Authors:
SITCH PK
KOHLER T
JUNGNICKEL G
POREZAG D
FRAUENHEIM T
Citation: Pk. Sitch et al., A THEORETICAL-STUDY OF BORON AND NITROGEN DOPING IN TETRAHEDRAL AMORPHOUS-CARBON, Solid state communications, 100(8), 1996, pp. 549-553
Authors:
JUNGNICKEL G
POREZAG D
FRAUENHEIM T
HEGGIE MI
LAMBRECHT WRL
SEGALL B
ANGUS JC
Citation: G. Jungnickel et al., GRAPHITIZATION EFFECTS ON DIAMOND SURFACES AND THE DIAMOND GRAPHITE INTERFACE, Physica status solidi. a, Applied research, 154(1), 1996, pp. 109-125
Citation: T. Kohler et al., STABILITY, CHEMICAL BONDING, AND VIBRATIONAL PROPERTIES OF AMORPHOUS-CARBON AT DIFFERENT MASS DENSITIES, Physical review. B, Condensed matter, 52(16), 1995, pp. 11837-11844
Authors:
JUNGNICKEL G
KOHLER T
HAASE M
DEUTSCHMANN S
STEPHAN U
BLAUDECK P
FRAUENHEIM T
Citation: G. Jungnickel et al., MODEL STUDIES OF THE STRUCTURE AND CHEMICAL BONDING IN AMORPHOUS-CARBON FILMS PREPARED BY MAGNETRON SPUTTERING, Journal of non-crystalline solids, 183(1-2), 1995, pp. 161-174
Authors:
FRAUENHEIM T
JUNGNICKEL G
KOHLER T
STEPHAN U
Citation: T. Frauenheim et al., STRUCTURE AND ELECTRONIC-PROPERTIES OF AMORPHOUS-CARBON - FROM SEMIMETALLIC TO INSULATING BEHAVIOR, Journal of non-crystalline solids, 182(1-2), 1995, pp. 186-197
Authors:
JUNGNICKEL G
KUHN M
DEUTSCHMANN S
RICHTER F
STEPHAN U
BLAUDECK P
FRAUENHEIM T
Citation: G. Jungnickel et al., STRUCTURE AND CHEMICAL BONDING IN HIGH-DENSITY AMORPHOUS-CARBON, DIAMOND AND RELATED MATERIALS, 3(7), 1994, pp. 1056-1065
Authors:
FRAUENHEIM T
STEPHAN U
BLAUDECK P
JUNGNICKEL G
Citation: T. Frauenheim et al., MOLECULAR DYNAMIC INVESTIGATIONS OF AMORPHOUS-CARBON - PI-BONDING VS ELECTRONIC DEFECT GENERATION, DIAMOND AND RELATED MATERIALS, 3(4-6), 1994, pp. 462-469
Authors:
WEILER M
KLEBER R
SATTEL S
JUNG K
EHRHARDT H
JUNGNICKEL G
DEUTSCHMANN S
STEPHAN U
BLAUDECK P
FRAUENHEIM T
Citation: M. Weiler et al., STRUCTURE OF AMORPHOUS HYDROGENATED CARBON - EXPERIMENT AND COMPUTER-SIMULATION, DIAMOND AND RELATED MATERIALS, 3(3), 1994, pp. 245-253