Comparative study on the band structures of tetrazaporphin nickel(II) and porphyrinato nickel(II). A crystal-orbital approach based on a semiempirical Hartree-Fock self-consistent-field model (Englisch)
Nationallizenz
- Neue Suche nach: Böhm, Michael C.
- Neue Suche nach: Böhm, Michael C.
In:
Physical Review B
;
28
, 12
;
6914-6926
;
1983
-
ISSN:
- Aufsatz (Zeitschrift) / Elektronische Ressource
-
Titel:Comparative study on the band structures of tetrazaporphin nickel(II) and porphyrinato nickel(II). A crystal-orbital approach based on a semiempirical Hartree-Fock self-consistent-field model
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Beteiligte:Böhm, Michael C. ( Autor:in )
-
Erschienen in:Physical Review B ; 28, 12 ; 6914-6926
-
Verlag:
- Neue Suche nach: The American Physical Society
-
Erscheinungsdatum:15.12.1983
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Format / Umfang:13 pages
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ISSN:
-
DOI:
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Medientyp:Aufsatz (Zeitschrift)
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Format:Elektronische Ressource
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Sprache:Englisch
-
Datenquelle:
Inhaltsverzeichnis – Band 28, Ausgabe 12
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Plasma energies forMattheiss, L. F. et al. | 1983
- 6634
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Jahn-Teller resonance polaron model for amorphous metalsAbell, G. C. et al. | 1983
- 6640
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Simple solution of the Newns-Anderson Hamiltonian of chemisorptionBaldo, M. / Pucci, R. / Flores, F. / Piccitto, G. / Martin-rodero, A. et al. | 1983
- 6640
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Simple solution to the Newns-Anderson Hamiltonian of chemisorptionBaldo, M. / Pucci, R. / Flores, F. / Piccitto, G. / Martin-Rodero, A. et al. | 1983
- 6647
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Surface segregation in simple metal alloysBarnett, R.N. / Landman, U. / Cleveland, C.L. et al. | 1983
- 6647
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Surface segregation in simple metal alloys: An electronic theoryBarnett, R. N. / Landman, Uzi / Cleveland, C. L. et al. | 1983
- 6659
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Transient nonlinear conduction and switching due to charge-density waves in Fe-doped NbEverson, M. P. / Coleman, R. V. et al. | 1983
- 6670
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Further experiments on the quantum oscillations in the transport properties of aluminumFletcher, R. et al. | 1983
- 6677
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Localization effects near the percolation thresholdGefen, Y. / Thouless, D. J. / Imry, Y. et al. | 1983
- 6681
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Valence and core electronic excitations in LiGrunes, L. A. / Gates, I. P. / Ritsko, J. J. / Mele, E. J. / DiVincenzo, D. P. / Preil, M. E. / Fischer, J. E. et al. | 1983
- 6687
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Microscopic analysis of interatomic forces in transition metals with lattice distortionsHo, K. -M. / Fu, C. -L. / Harmon, B. N. et al. | 1983
- 6695
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Gibbs energy for homogeneous void nucleationJohnson, R. A. et al. | 1983
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Surface electronic structure and chemisorption on corundum transition-metal oxides:Kurtz, Richard L. / Henrich, Victor E. et al. | 1983
- 6707
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Structure of Cu(111)p(2Theta2)Cs determined by low-energy electron diffractionLindgren, S.A. / Wallden, L. / Rundgren, J. / Westrin, P. / Neve, J. et al. | 1983
- 6707
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Structure of determined by low-energy electron diffractionLindgren, S. Å. / Walldén, L. / Rundgren, J. / Westrin, P. / Neve, J. et al. | 1983
- 6713
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Landau-level subband structure of electrons on a square latticeMacDonald, A. H. et al. | 1983
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Cluster-growth processes on a two-dimensional latticeMeakin, Paul et al. | 1983
- 6733
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Path-integral method for soliton-bearing systems. Higher-order corrections in the sine-Gordon model in the classical limitMiyashita, Takashi / Maki, Kazumi et al. | 1983
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Surface magnetism of Fe(001)Ohnishi, S. / Freeman, A. J. / Weinert, M. et al. | 1983
- 6749
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Pair potentials on metal surfacesRasolt, Mark / Perrot, F. et al. | 1983
- 6758
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Photoelectron-spectroscopy study of the electronic structure of Au and Ag overlayers on Pt(100), Pt(111), and Pt(997) surfacesSalmerón, M. / Ferrer, S. / Jazzar, M. / Somorjai, G. A. et al. | 1983
- 6758
-
Photoelectron-spectroscopy study of the electronic sructure of Au and Ag overlayers on Pt(100), Pt(111), and Pt(997) surfacesSalmeron, M. / Ferrer, S. / Jazzar, M. / Somorjai, G.A. et al. | 1983
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Dispersion of the nonlinear second-order optical susceptibility of organic systemsTeng, C. C. / Garito, A. F. et al. | 1983
- 6774
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Mixed states in RhAl, RhGa, and RhIn studied by photoemission spectroscopy and band-structure calculationsVerbeek, B.H. / Rompa, H.W.A.M. / Larsen, P.K. / Methfessel, M.S. / Mueller, F.M. et al. | 1983
- 6774
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Mixed states in RhA1, RhGa, and RhIn studied by photoemission spectroscopy and band-structure calculationsVerbeek, B. H. / Rompa, H. W. A. M. / Larsen, P. K. / Methfessel, M. S. / Mueller, F. M. et al. | 1983
- 6780
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Radiation-induced segregation in Ni-Cu alloysWagner, W. / Rehn, L. E. / Wiedersich, H. / Naundorf, V. et al. | 1983
- 6795
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Phase diagram of chemisorbed oxygen layer on the tungsten (112) surfaceWang, G. -C. / Lu, T. -M. et al. | 1983
- 6802
-
Metal-insulator transition and local moments in a narrow band: A simple thermodynamic theorySpałek, J. / Oleś, A. M. / Honig, J. M. et al. | 1983
- 6812
-
Ground- and excited-state properties of solid argon under pressureLeSar, R. et al. | 1983
- 6821
-
Weak-localization, spin-orbit, and electron-electron interaction effects in two- and three-dimensional bismuth filmsMcLachlan, D. S. et al. | 1983
- 6833
-
Golden-rule approach to the soft-x-ray-absorption problemOhtaka, K. / Tanabe, Y. et al. | 1983
- 6847
-
Polarization effect on the chemisorption energy on transition metals. II. Magnetic surfaceOleś, A. M. / Chao, K. A. et al. | 1983
- 6847
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Polarization effect on the chemisorption energy on transition metals. IIOles, A.M. / Chao, K.A. et al. | 1983
- 6852
-
Thomas-Fermi impurity potential for metallic thin filmsAjoy, Geetha / Devanathan, V. / Govindaraj, G. et al. | 1983
- 6861
-
Effects of lower-symmetric crystal fields in the intermediate-coupling scheme for the transition-metal complexesChakravarty, A. S. / Basu, S. et al. | 1983
- 6868
-
Tracer diffusion in cubic latticesChaturvedi, D. K. et al. | 1983
- 6873
-
Single-kink dynamics in a one-dimensional atomic chain: A nonlinear atomistic theory and numerical simulationCombs, J. Andrew / Yip, Sidney et al. | 1983
- 6886
-
Comparison between amorphous and crystalline phases of copper-zirconium alloys by specific-heat measurementsGaroche, P. / Bigot, J. et al. | 1983
- 6896
-
Matrix continued-fraction calculation of localization lengthPastawski, H. M. / Weisz, J. F. / Albornoz, S. et al. | 1983
- 6904
-
Series expansion for the symmetric Anderson HamiltonianZlatić, V. / Horvatić, B. et al. | 1983
- 6907
-
Magnetoreflectance at the band edge inAggarwal, R. L. / Jasperson, S. N. / Stankiewicz, J. / Shapira, Y. / Foner, S. / Khazai, B. / Wold, A. et al. | 1983
- 6914
-
Comparative study on the band structures of tetrazaporphin nickel(II) and porphyrinato nickel(II). A crystal-orbital approach based on a semiempirical Hartree-Fock self-consistent-field modelBöhm, Michael C. et al. | 1983
- 6927
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Solitons and polarons in polyacetylene: Self-consistent-field calculations of the effect of neutral and charged defects on molecular geometryBoudreaux, D. S. / Chance, R. R. / Brédas, J. L. / Silbey, R. et al. | 1983
- 6937
-
Homogeneous doping and semiconductor-to-"metal" transition in polyacetyleneChien, James C. W. / Warakomski, J. M. / Karasz, F. E. / Chia, W. L. / Lillya, C. P. et al. | 1983
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Excitation spectra of group-II acceptors in Ge: Ge(), Ge(), and Ge()Cross, J. W. / Ho, L. T. / Ramdas, A. K. / Sauer, R. / Haller, E. E. et al. | 1983
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Electronic structure of . Application of the Haydock recursion methodDavis, L. C. et al. | 1983
- 6972
-
Far-infrared optical properties of semiconducting tetrathiafulvalene tetracyanoquinodimethane (TTF-TCNQ), including the pinned charge-density waveEldridge, J. E. / Bates, Frances E. et al. | 1983
- 6982
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Structural and electrical properties of intercalated and ion-implanted highly ordered graphite fibersEndo, M. / Chieu, T. C. / Timp, G. / Dresselhaus, M. S. / Elman, B. S. et al. | 1983
- 6992
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de Haas—van Alphen effect in silicon inversion layersFang, F. F. / Stiles, P. J. et al. | 1983
- 6996
-
Transient electrical response of MoFleming, R. M. / Schneemeyer, L. F. et al. | 1983
- 7000
-
Electronic structure of Cr silicides and Si-Cr interface reactionsFranciosi, A. / Weaver, J. H. / O'Neill, D. G. / Schmidt, F. A. / Bisi, O. / Calandra, C. et al. | 1983
- 7009
-
Lattice dynamics of SnHarbec, J. -Y. / Powell, B. M. / Jandl, S. et al. | 1983
- 7014
-
Determination of the Fermi-level pinning position at Si(111) surfacesHimpsel, F. J. / Hollinger, G. / Pollak, R. A. et al. | 1983
- 7019
-
Optical and infrared properties of tetramethyltetraselenafulvalene [] and tetramethyltetrathiafulvalene [] compoundsJacobsen, C. S. / Tanner, D. B. / Bechgaard, K. et al. | 1983
- 7033
-
Effect of finite phonon wavelength on phonon focusingMaris, Humphrey J. et al. | 1983
- 7038
-
Chemical bonding and heats of formation in chalcogenide network compounds and GePhillips, J. C. et al. | 1983
- 7040
-
Electronic power transfer in pulsed laser excitation of polar semiconductorsPötz, W. / Kocevar, P. et al. | 1983
- 7048
-
Light scattering intensities from plasmaritons in differently doped GaAsRohrer, U. / Claus, R. et al. | 1983
- 7051
-
Chemical bonding, adatom-adatom interaction, and replacement reaction of column-3 metals on GaAs(110)Skeath, Perry / Lindau, I. / Su, C. Y. / Spicer, W. E. et al. | 1983
- 7068
-
Binding energy of the impurity level in the superlatticeTanaka, Kazuyoshi / Nagaoka, Masataka / Yamabe, Tokio et al. | 1983
- 7075
-
Temperature dependence of the photoconductive absorption edge in amorphous siliconTiedje, T. / Cebulka, J. M. et al. | 1983
- 7080
-
Surface states in P- and B-doped amorphous hydrogenated siliconWagner, I. / Stasiewski, H. / Abeles, B. / Lanford, W. A. et al. | 1983
- 7087
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Photoemission and photoyield of amorphous Si filmsWesner, D. / Eberhardt, W. et al. | 1983
- 7094
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Theory of total-reflection-mode acoustic-surface-wave amplification in piezoelectric semiconductor filmsWu, Chhi-Chong et al. | 1983
- 7101
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Shubnikov—de Haas oscillations in Si inversion layers in the (110) surface and its vicinal planesWoo, K. C. / Stiles, P. J. et al. | 1983
- 7105
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Energy bands of ternary alloy semiconductors: Coherent-potential-approximation calculationsBugajski, M. / Kontkiewicz, A. M. / Mariette, H. et al. | 1983
- 7115
-
Bound excitons and resonant Raman scattering inCohen, E. / Street, R. A. / Muranevich, A. et al. | 1983
- 7125
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Anomalous behavior of CeTe under high pressuresLéger, J. M. / Epain, R. / Loriers, J. / Ravot, D. / Rossat-Mignod, J. et al. | 1983
- 7130
-
Extended x-ray-absorption fine-structure study of random solid solutionsMikkelsen Jr., J. C. / Boyce, J. B. et al. | 1983
- 7141
-
Capture into deep electronic states in semiconductorsMorgan, T. N. et al. | 1983
- 7175
-
Temperature dependence of the refractive-index dispersion in amorphous germanium at elevated temperaturesGoldschmidt, D. et al. | 1983
- 7183
-
Diffusion on a random lattice: Weak-disorder expansion in arbitrary dimensionDerrida, B. / Luck, J. M. et al. | 1983
- 7191
-
Effect of nonrandomness on long-wavelength optical phonons inGupta, H. C. / Ahuja, Geeta / Prakash, Suresh / Tiwari, L. M. / Tripathi, B. B. et al. | 1983
- 7194
-
Validity of the effective-mass approximation for shallow impurity states in narrow superlatticesPriester, C. / Allan, G. / Lannoo, M. et al. | 1983
- 7201
-
Electronic structure of ion-implanted graphiteElman, B. S. / McNeil, L. / Nicolini, C. / Chieu, T. C. / Dresselhaus, M. S. / Dresselhaus, G. et al. | 1983
- 7210
-
Mean-square amplitudes of vibration and thermodynamic functions of the (0001) surface of graphiteFirey, B. / de Wette, F. W. / de Rouffignac, E. / Alldredge, G. P. et al. | 1983
- 7219
-
Ground-state properties of xenon on graphiteJoos, B. / Bergersen, B. / Klein, M. L. et al. | 1983
- 7225
-
Photoelectron spectroscopic study of decay process of Li —core exciton in LiFKamada, Masao / Ichikawa, Kouichi / Tsutsumi, Kenjiro et al. | 1983
- 7229
-
Optical properties of "diamondlike" carbon films: An ellipsometric studyKhan, A. Azim / Mathine, David / Woollam, John A. / Chung, Y. et al. | 1983
- 7236
-
Polyacene and a new class of quasi-one-dimensional conductorsKivelson, S. / Chapman, O. L. et al. | 1983
- 7244
-
Persistent nonphotochemical spectral hole dynamics for an infrared vibrational mode in alkali halide crystalsMoerner, W. E. / Chraplyvy, A. R. / Sievers, A. J. / Silsbee, R. H. et al. | 1983
- 7260
-
High-pressure Raman study of zone-center phonons in PbTiSanjurjo, J. A. / López-Cruz, E. / Burns, Gerald et al. | 1983
- 7269
-
Analysis of the Raman spectral shape in -AgICazzanelli, E. / Fontana, A. / Mariotto, G. / Mazzacurati, V. / Ruocco, G. / Signorelli, G. et al. | 1983
- 7277
-
Surface-phonon spectroscopy of LiF(001) by inelastic scattering of He atoms: Theory and interpretation of time-of-flight spectraBenedek, G. / Toennies, J. P. / Doak, R. B. et al. | 1983
- 7288
-
Potassium absorption into the graphite (0001) surface: IntercalationWu, N. J. / Ignatiev, A. et al. | 1983
- 7294
-
Optical-photon-assisted hydrogen diffusion in metal hydridesDhawan, L.L. / Prakash, S. et al. | 1983
- 7294
-
Optical-phonon—assisted hydrogen diffusion in metal hydridesDhawan, L. L. / Prakash, S. et al. | 1983
- 7308
-
Investigation of the electronic structure, hyperfine interactions, and radial densities in the iron tetrahedral sulfides with the use of the multiple-scattering methodLie, S. K. / Taft, C. A. et al. | 1983
- 7317
-
Solid-state properties of argon, krypton, and xenon near 0 K from an potentialBobetic, M. V. / Barker, J. A. et al. | 1983
- 7321
-
Symmetry of effective electroelastic tensor for point group 32Kittinger, Erwin / Tichý, Jan et al. | 1983
- 7323
-
Effect of elastic anisotropy on the electromagnetic generation of ultrasound in potassiumGopalan, S. / Feyder, G. / Rodriguez, S. / Kartheuser, E. / Mohan, L. R. Ram et al. | 1983
- 7327
-
Wannier functions and circulant orbitalsChen, Min-Bo / Calais, Jean-Louis et al. | 1983
- 7330
-
Occupancy and hybridization of the level in Ce compoundsGunnarsson, O. / Schönhammer, K. / Fuggle, J. C. / Hillebrecht, F. U. / Esteva, J. -M. / Karnatak, R. C. / Hillebrand, B. et al. | 1983
- 7334
-
Anharmonicity and the Fano effect in the TO () phonon mode of gallium phosphideGaltier, P. / Lemos, V. / Zigone, M. / Martinez, G. et al. | 1983
- 7338
-
Melting transition of submonolayer xenon, krypton, and argon films on graphite: A computer simulation studyAbraham, Farid F. et al. | 1983
- 7342
-
Electronic densities of states of defect-free Ti(110) and Ti(001) surfacesMunnix, S. / Schmeits, M. et al. | 1983
- 7346
-
Convergence of momentum space, pseudopotential calculations for SiHolzschuh, E. et al. | 1983
- 7349
-
Sum rule for lattice vibrations; breakdown of the rule for polarizable atomsSzabo, P. / Paul, G. L. et al. | 1983
- 7351
-
Phonon sum rule and force modelsRosenstock, Herbert B. et al. | 1983
- 7352
-
Erratum: Single-particle and collective excitations in ferromagnetic iron from electron-energy-loss spectroscopyColavita, E. / De Crescenzi, M. / Papagno, L. / Scarmozzino, R. / Caputi, L. S. / Rosei, R. / Tosatti, E. et al. | 1983
- 7352
-
Erratum: Augumented-plane-wave to Gaussian-orbital conversion procedure: One-electron states and Compton profiles of fcc neonRay, A. K. / Trickey, S. B. et al. | 1983
- 7353
-
Erratum: Kinetics of desorption from a heterogeneous surfaceCórdoba, A. / Luque, J. J. et al. | 1983
- 7353
-
Erratum: Electronic structure of -shell metalsHarrison, Walter A. et al. | 1983
- 7353
-
Erratum: Electrical transport in low-resistivity amorphous metalsMeisel, L. V. / Cote, P. J. et al. | 1983
- 7354
-
Electronic structure of - and -CeWuilloud, E. / Moser, H. R. / Schneider, W. -D. / Baer, Y. et al. | 1983
- 7354
-
Electronic structure of gamma- and alpha-CeWuilloud, E. / Moser, H.R. / Schneider, W.D. / Baer, Y. et al. | 1983
- 7358
-
Calculation of potential cutoff for one-phonon atom-surface scatteringBortolani, V. / Franchini, A. / Garcia, N. / Nizzoli, F. / Santoro, G. et al. | 1983
- 7362
-
Phonon effects in deep-level spectra of metals: Beyond the linear-screening and linear-coupling modelsAlmbladh, C. -O. / Morales, A. L. et al. | 1983
- 7362
-
Phonon effects in deep-level spectra of metalsAlmbladh, C.O. / Morales, A.L. et al. | 1983
- 7366
-
Electronic structure of hydrogen-based impurity complexes in crystalline germaniumOliva, J. / Falicov, L. M. et al. | 1983
- 7370
-
Wave functions at a mobility edge: An example of a singular continuous spectrumPrange, R. E. / Grempel, D. R. / Fishman, Shmuel et al. | 1983
- 7373
-
Binding energies of acceptors in GaAs- quantum wellsMasselink, W. T. / Chang, Yia-Chung / Morkoç, H. et al. | 1983
- 7377
-
Formation and structure of epitaxial nickel silicide on Si{111}Yang, W. S. / Jona, F. / Marcus, P. M. et al. | 1983
- 7381
-
Free excitons in room-temperature photoluminescence of GaAs- multiple quantum wellsDawson, P. / Duggan, G. / Ralph, H. I. / Woodbridge, K. et al. | 1983
- 7384
-
First-principles calculation of the dielectric properties of GaAs: Dielectric constant, effective charges, and piezoelectric constantMcKitterick, John B. et al. | 1983
- 7387
-
Helical versus planar cis-polyacetyleneElert, M. L. / White, C. T. et al. | 1983
- 7390
-
Two-mode behavior of mixed crystalsPrakash, S. / Gupta, H. C. / Tripathi, B. B. et al. | 1983
- 7393
-
Anomalous magnetoresistance of graphite at high magnetic fieldsTimp, G. / Dresselhaus, P. D. / Chieu, T. C. / Dresselhaus, G. / Iye, Y. et al. | 1983
- 7397
-
Suppression of the energy gap in Sm under pressureBeille, J. / Maple, M. B. / Wittig, J. / Fisk, Z. / DeLong, L. E. et al. | 1983