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Joseph Barak Soreq Nuclear Research

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R. C. Bowman, Jr. Monsanto Research Corp. Mound Fac i Iity P.O. Box 32 Miamisburg, OH 45342

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M. Gupta Universlte Paris-Sud Laboratoire de Physique

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Meta I forschung Institut fur Physik Heisenbergstrasse 1 Posfach 80 06 65 7000 stuttgart 80

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R. Marzke Department of Physics Arizona State University Tempe, Arizona 85281

L. Mattix 1423-305 Southern Ave. Oxen Hil I, MD 20032

F. M. Mazzolai Department of Metallurgical

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P. F. Me i er Physik Institut der

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Mel Muel I er Materials Science Division Argonne National Laboratory Argonne, IL 60439

M. Mul I Ins Polyatomlcs Research Institute 1101 San Antonio Road

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K. Nagamine Meson Science Lab. Faculty of Science University of Tokyo Hongo 7-3-1, Bunkyo-ku Tokyo 113, Japan

M. Namkung Department of Physics Col lege of WI I I i am & Mary Williamsburg, VA

Gary Navrotsky Reynolds Metals Co.

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K. L. Ngal Naval Research Lab Washington D.C. 20375


V. Adam Niculescu Department of Physics Vlrglna Commonwealth Unlv Richmond, VA 23284

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D.A. Papaconstantopoulos Naval Research Laboratory Washington, D.C. 20375

Antoni Pedzlwlatr University of Pittsburgh Department of Chemistry Pittsburgh, PA 15260

Hans J. S. Pelsl Geschw I ster Scho I I PI. I D 8000 Munchen 22 Germany

D. T. Peterson Ames Lab. -USOOE Department of Materials Science Iowa State University Ames, I A 500 I I


K. Petzinger Department of Physics Col I ege of Wi I I i am and Mary Wi I I iamsburg, VA 23185

Michael Pick Brookhaven National Lab 76 Corne" St. Department of Metallurgy Upton, New York 11973

W. E. Pic kett Naval Research Laboratory Washington, D.C. 2D375

Faiz Pourarian University of Pittsburg Department of Chemistry Pittsburg, PA 15260

A. F. Rex Department of Physics University of Virginia Char' ottesv i I Ie, VA 22901

James J. Rhyne Reactor Bldg. 235 National Bureau of Standards Washington, D.C. 20234

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Frank J. Rotella Argonne National Laboratory Argonne, IL 60439

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John J. Rush Institute of Material Research

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N. Sal Ib I Department of Physics Clark Hall Cornell University Ithaca, NY 14853

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Wilhelms Unlversltat Instltut fur Physik. Chemle Schlossplatz 4 D - 4400 Munster West Germany

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T. Tanaka Department of Physics Ohio University Athens, Ohio 45701

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David Loel Tonks Los Alamos National Laboratory Group T-II, MS 457 Los Alamos, NM 87545

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Dietrich H. Vincent Dept. of Nuclear Engineering University of Michigan 3024 Phoenix Memorial Lab Ann Arbor, Michigan 48109

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David Witchell University of Birmingham Physics Department Birmingham, England

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689

INDEX

Absorption af Hydrogen in metals, theory, 79-84 in Pd-H, 82-84 +

Adiabatic Potential for ~ , 421, 422

Al-H(D) calculation of electronic

structure, 283-289 electronic energy bands, 285 superconductivity, 315, 316

Augmented Plane Wave (APW) Methods

calculation of electronic contribution, n, to the electron-phonon coupling parameter, A, 323

calculation of electronic structure in fcc transition metals, 265

Average T-Matrix Approximation (ATA)

non-stoichiometric hydrides, calculation of electronic structure, 249-254

Pd-H, calculation of electronic structure, 254-261

+ Bonding States for ~ , 417

Ce-H, NMR Studies, 449 Chemisorption

of H on close packed surfaces, 641-645

of H on ferromagnetic transition metals, 635-640

Coherent Diffusion Theory, 538-540

691

Coherent Precipitation in Pd-H, 36

Crack Propagation, effect of H on direction, 629-633

Critical Exponents for the Order Parameter in Pd-H, 192-193

Cu-H de Haas-van Alphen effect,

237-238

Defect-Hydrogen Interaction, 292

de Haas-van Alphen Effect in Cu-H, 237-238 in Pd-H, 240-246, 257-260 relation to electronic

structure, 235-248 Density Functional Method

applied to a proton injellium, 300

Desorption in irradiated Ni-D, 589-594 kinetics, 58, 59 mechanisms, 63-66, 69, 70

Desorption Isotherms of rare earth C03-H compounds,

104., 105 Diffusion (see also Muon

Diffusion) activation energies for H in

TiCu-H and Ti2Cu-H, 480 mechanisms in Li-H, 291 in Nb, theory, 543-548 quantum effect, 177-182, 485-

496, 535-540 studies using NMR, 451-462

692

theory of H in metals, 531-540 (continued)

Diffusion Barriers in Li-H, 296 Diffusion Coefficients

for Hand D in V-Cr alloys, 465 for Hand D in V-Ti alloys, 465 for H in stainless steel, 555-

560 from pulsed gradient NMR

measurement, 452 from spin relaxation times,

453-458 Dingle Temperatures, 237

in Pd-H(D), 240, 260, 261 Dipole Force Tensor in Pd-H,

119-124

Elastic Constants H induced changes, 125-131 of Pd-H(D), 145-150

Elastic Interactions between H atoms in a metal, 23 in Nb-H, 18, 20 in Pd-H films, 659, 663, 664 relation to spinodal decomposi-

tion, 43 Electron-Accoustic Phonon Inter

actions relation to superconductivity,

322 Electron Density of States (DOS)

in FeTiH, 326 in FeTiH2' 328 in LaH2, 326 in NbH, 211, 212, 325 in NbH2' 325 in NiII, 325 in Pd-H, 256, 281

Electron Energy Bands of AlH, 285 of NbH, 212 of Pd-H, 256 of YH2 , 215 of YH3' 217

Electron Energy Loss Spectroscopy (EELS)

of Pd-H, 227-228 Electron-Optical Phonon Inter

actions relation to superconductivity,

INDEX

239, 310, 323, 328 (continued)

in superconducting P·d-R(D), 321, 313, 323

in superconducting Th4H15' 314 Electron-Phonon Coupling

Parameter, A, 310, 322, 327

in PdCu-H alloys, 354, 355 in Pd-H, 312, 313 in PdNi-D alloys, 348, 349 in Th4H15 , 314

Electron Spin Resonance (ESR) determination of site occupancy

in LaH2, 97-102 Electronic Interactions

between H atoms in metals, 23 Electronic Structure

from de Haas van-Alphen effec4 235-248

from muon Knight shifts, 391-404

in the , .. icinity of j.l +, 415-417 of Al-H, 283-289 of chemisorbed H on close

packed structures, 641-645

of H in Pd by the MTGF techni-que, 277-282

of metal hydrides, 207-222 of Nb-H, 329-330 of non-stoichiometric hydride~

theory, 249-261 of Pd-H, 361-365, 223-228,

229-234 of a single H and pair of H

atoms in fcc metals, 265-274

of a single H and pair of H atoms in Pd metals, 268-274

of V-H, 307 Enthalpy of Formation

in determining site occupancy, 89

pair-bond model, 49-54 in rare earth C03-H compounds,

106 of ZrMn2+yHx ' 387, 388

INDEX

Entropy of Formation

Fe

of rare earth C03-H compounds, 106

of ZrMn2+yRx, 385-389

~SR determination of hyperfine fields, 413-423

~SR in dilute alloys, 617-620 ~SR time spectra, 426

FeTi magnetization of, 373-376

FeTi-H DOS, 326, 328

Fermi Surface (see de Haas-van Alphen effect)

"Fifty K Anomaly" in Pd-H, 189, 335

Free Energy of Formation in the pair approximation, 81 of rare earth C03-H compounds,

106 Friedel Oscillations, 120, 301

GdxY6_xFe23' GdxY6_xFe23-H lattice parameters, 370-372 magnetic properties, 367-372

Ground State Energy of H in Li-H, 291-297

Gruneisen Parameters in Pd-H, 149

H-H Interactions, 49-54 H-M Interactions, 49, 52, 218 Hartree-Fock Model, 267 Hole Size

effect on site occupancy of metallic hydrides, 91

effect on stability of intermetallic hydrides, 88, 89

effect on stoichiometry of metallic hydrides, 91-93

Hopping Rates from quasi elastic neutron

scattering, 177, 179, 182 Hydrogen Density Waves

in Nb-H, 3 in V-D, 8

Hydrogen Induced Electron States, 210-218

693

in PdHO.6' 229, 230 (continue~ Hydrogen Permeation

in stainless steel, 555-560 Hydrogen Stor~ge, 73, 386 Hydrogen Vibrations (see also

Optic Phonons) in Nb-H and Ta-H, 167 in Ni-H, 165 in YH2' 169

Hyperfine Fiel ... in Cd from ~+ Knight shift,

407 in Pd from ~+ Knight

401, 402 in TiCr1.8Rx, 439 of ~+ in Fe, 413-423, of ~+ in Ni, 413-423,

Internal Friction in Pd-H, 139-144

Inverse Isotope Effect

shift,

425-429 433

in diffusion in Pd-H(D), 520, 522, 533

in Pd-H(D) superconductivity, 238-240, 312, 313

Isotope Effect in de Haas-van Alphen effect

in Pd-H(D), 240, 244-246 in diffusion in Nb-(H,D,T),

351 in Nb-H(D) elastic constants,

127 in Nb-H(D) phase diagrams, 4 in Pd-H(D) elastic constants,

145-148 in Ta-H(D) phase diagrams, 4 in V-(H,D,T) phase diagrams,

6-9, 154

Jahn-Teller Effect, 379-383 in ZrRx, 443, 444, 447

Jellium, Electronic Structure of a Proton in, 299-305

KKR Method applied to ~+ in Fe and Ni,

414 applied to non-stoichiometric

hydrides, 249

694

La-H disorder in, 205, 206 DOS, 326 ESR·determination of site

occupancy, 97-102 photoemission spectroscopy,

213-216 LaNi5-H

geometric model, 91-93 muon Knight shifts, 402-404

Lacker Model, 15, 79, 80 Lattice Distortions

in Nb-H, 117 Lattice Parameters

of GdxY6-xFe23Hy' 370, 372 of Pd-H, strain effects, 115 of rare earth C03-H compounds,

107, 108 of TiCrl.8Rx, 438 of V-Cr-H and V-Ti-H alloys,

198, 199 Li-H

diffusion barriers, 296, 297 ground state energy calcula

tions, 291-297 Local Density of States (LDOS)

at the H site in Pd-H, 268-271, 277-281

at the ~+ site in Fe and Ni, 415-419

Local Magnetic Dipole Fields in Hf2CoH3,8' 459 in Hf2RhH2.2' 459 relation to spin relaxation,

453-458 Local Neutrality Criterion for

Calculationg Electronic Structure, 267

Local Structural Excitation Model for Lattice Instability, 338

Long Range Order in Pd-H, 336, 338, 340

Magnetic Impurities Gd in YHl •99 , 467-471

Magnetic Ordering

INDEX

GdxY6_xFe23-H , 367-372 Magnetic Susceptibility

of Pdl_y~~ (M=Mn,Fe,Co), 361-365

of Pt catalyst with adsorbed o and H, 647-651

of TiCrl.8Hx' 437-441 of TiCu-H and Ti2Cu-H, 482 of V-Cr-Hand V-Ti-H alloys,

198, 199 Minimum H-H Distance

effect on site occupancy in intermetallic hydrides, 91

effect on stoichiometry in intermetallic hydrides, 91-93

Molecular Cluster Method applied to Li-H, 291-297

Mossbauer Spectroscopy for determining H-impurity

interactions (impurities 3 Co,Ru,Rh,Sn,Os,Ir,Pt and Au), 581-588

of H,D trapping by vacancies, 567-578

of H,D trapping in AI, 577 of H,D trapping in Cu, 570-577

Motional Narrowing in ~SR, 508 in neutron spectroscopy, 179,

180 Muffin-tin Green's Function

(MTGF) Technique, 277-282

Muon Diffusion in Al and Al based alloys,

513-518 in Cu, Ag and Au, 507-512 in Cu and Al, 434-436 in Fe, trapping by monovacan

cies, 425-429 in Nb, impurity trapping, 505,

506 using zero and longitudinal

field ~SR, 499-503 Muon Knight Shift

in Pd-H with impurities, Magnetic Properties

361-365 in Cd, 407-411

of GdxY6-xFe23 and in LaNi5-H, 402-404 in Ni, 433

INDEX

in simple metals, 395-398 (continued)

in transition metals, 398-402, 419, 420

Muon Spin Rotation (~SR) (see Muon Knight Shifts)

in AI, diffusion, 517, 518 in dilute Fe alloys, 617-621 in Fe, diffusion, 609-614 in Fe, longitudinal relaxation,

609-614 hyperfine fields, 617-620 of Pt catalyst with adsorbed 0

and H, 647-651 strain effect, 619 time spectra in Fe, Ni and In,

426-435

l5N Hydrogen Profiling Method in Nb-H, 74 in Pd-Cu-H alloys, 341-346 in Si, three dimensional, 109-

114 Nb, ~+ Diffusion and Trapping,

505, 506 Nb-H(D)

depth-concentration profile, 73-78

diffusion, theory of, 543-548 DOS, 211, 212, 325 elastic constants, 125-131 electron energy bands, 212 electronic structure, 329, 330 inelastic neutron scattering,

167 isotope effect in diffusion,

531 lattice distortions and phase

transitions, 117 phase diagram, 2-4, 19 phase transitions, theory, 18 photoemission spectroscopy, 210,

211 superconductivity, 329, 330

Nb-O-H Alloys neutron spectroscopy, 175, 488,

489 trapping of H by 0, 136 ultrasonic attenuation, 133-137

Nb-V-H Alloys

695

neutron spectroscopy, 173 phase transitions, 21

Nd-H photoemission spectroscopy,

213, 214 Neutron Diffraction

in Pd-D, 189-195 in YH2, 169

Neutron Scattering from tunneling systems, 491-

493 in M-H systems. (M=Nb, Ta, V ,Pd),

151 in Nb-H and Ta-H, inelastic,

167 in Ni-H, 165 in V-Cr-H and V-Ti-H alloys,

200-201 in Y-H, inelastic, 169, 183-

187 Neutron Spectroscopy

Ni

in Nb-O-H alloys. 171-176, 488, 489

in Nb-V-H alloys, 171-176 in pure and defected M-H

systems, 151

~SR determination of hyperfine fields, 413-423, 433

Ni-H(D) desorption of D, 589-594 DOS, 325 neutron scattering, 165

Ni-Mn Alloys effect of H on resistance

anomalies, 653-658 Nuclear Magnetic Resonance (NMR)

determination of diffusion coefficients, 451-462, 473-478, 525-529

in Ce-H, 449 in Hf2RhH2.2 and Hf2CoH3.8'

459 in LaNi5H7• 476-478 in TiCrl.8-H. 437-442 in TiHl •93 • 461 in YHl.98' 467-472 in Zr-H. 443-447 of Pt catalyst with adsorbed 0

and H. 647-651

696

(NMR) (continued) spin echo techniques, 457-462,

473 Torrey's nuclear spin model,

474-478 trapping of D by dislocations,

595-599 Nuclear 19action Analysis (see

N Hydrogen Profiling Method)

Optic Phonons (see also Hydrogen Vibrations)

contribution to elastic moduli in Pd-H{D), 145-150

in V-Ti-H and V-Cr-H alloys, 200, 201

relation to superconductivity, 312-318

Optical Spectroscopy, 207-218 Order-Disorder Transformations

in a. '.Pd-H, 189-195 effect on superconductivity,

in PdH{D), 335-340 in V2D, 155 in V2H, 159

Pb-H superconductivity, 316

Pd-H{D) absorption isotherms, 82-84 coherent precipitation, 36 critical pressures and tempera-

tures of thin films, 659-664

de Haas-van Alphen effect, 240-246

diffusion, 519-524, 525-529 elastic constants, 145-150 electron density of states,

256, 281 electron energy bands, 256 electron energy loss spectro

scopy, 227, 228 electron-phonon interactions,

312, 313, 323 electronic structure, 254-261,

268-274, 277-282. 229-23~ 361-365

forces, dipole force tensor and

INDEX

elastic binding energy, 119-124 (continued)

H solubility enhancement by cold work, 623-628

H-H binding energy, 271-274 H-solute atom interactions,

581-588 impurity magnetism, 361-365 internal friction, 139-144 lattice parameters, 115 Mossbauer spectroscopy, 581-588 neutron diffraction, 189-195 NMR studies of trapping,

595-599 order-disorder transitions,

189-195, 335-340 phase diagram, 359 photoemission spectroscopy,

208, 209, 223-228 resistivity, 561-565 superconductivity, 311-314,

318, 335-340, 359 thermal desorption spectro

scopy, 55-60 thermopower, 561-565 ultrasonic attenuation,

139-144, 145-150 Pd-Cu-H Alloys

depth profiling, 341-346 electron-phonon interactions,

354, 355 resistivity, 354-358 superconductivity, 341-346

Pd-Ni-H Alloys electron-phonon interactions,

348-349 phonon spectra, 349 superconducting tunneling,

347-350 Perturbed Angular Correlations,

589-594 Phase Diagrams

of Nb-H{D), 2-4, 19 of Nb-V-H alloys, 22 of Pd-H, 359 of Ta-H{D), 4-6 of V-{H,D,T), 6-9 of Y-H, 184

Phase Transitions in Nb-H, 18, 20, 117

INDEX

in Nb-V alloys, 21 in V2H and V2D, 153-162 statistical theories, 11-24

Phonon Spectra of Pd-Ni-D alloys, 349

Photoemission Spectroscopy of LaHx ' 216 of NdH2' PrH2 and LaH2 , 213,

214 of Pd-H, 208, 209, 223-228,

229-234 of V-H, Nb-H and Ta-H, 210,

211 Pi Mesons

energy loss due to phonon scattering, 607

in Ta, site occupancy by channeling, 602-609

trapping by 0, 607, 608 Polaron Theories of Diffusion,

528, 535-537, 543-548 Pr-H

photoemission spectroscopy, 213, 214

Proton Knight Shift in TiCrl.8~' 438-441 in Ti-Cu-H alloys, 483 in Zr-H, 444, 445

Pt Catalyst with adsorbed 0 and H, 647-651

Rare Earth C03-H Compounds lattice parameters, 107 thermodynamic properties, 106

Resistance Anomaly in Ni-Mn and Ni-Mu-H alloys,

653-658 in Pd-H, 190, 336-339 in Y-H, 183-184

Resistivity of Pd-Cu-H alloys, 354-358 of Pd-H, 561-565

Rigid Ion Approximation, 321, 322

Screened Proton Model, 266 Site Occupancy

effect of H-H distance, 87 effect of hole size, 91 from ]lSR, 414 in intermetallic compound

697

hydrides, 85-93 (con't.) in La-H and Y-H, 205, 206 in LaH2' 97-102 in V2H and V2D, 153-162 in Y-H, 169, 183-187 of ]l+ in Fe from ]lSR, 612-614 of n+ in Ta by channeling,

601-609 Specific Heat

of Nb-N-H(D) , 487, 488 of Nb-O-H alloys, 134 of tunneling systems, 490-491 of V-Cr-H and V-Ti-H alloys,

198-200 Spin Density Functional Formalism,

414 Spin-Lattice Relaxation Time,

Tl in TiCrl.8-H, 440, 441 in ZrH, 444, 445, 446 of Hand D in Ce-H, 449

Spin-Lattice Relaxation Time in Rotating Frame, Tlr , 451-462

in LaNi5H7' 476 in Ti-Cu-H alloys, 480, 481

Spinodal Decomposition, 28, 29, 31

effect of thermal fluctuation~ 43-48

Spinodals, 25-40 Super cell Calculations

of H in AI, 283-289 Superconducting Tunneling

in Pd-Ni-D alloys, 347-350 Superconductivity

effect of order in Pd-H(D), 335-340

high T , 330-331 in Pd-Eu-H alloys, 341-346 Nb-H, 329, 330 of Al-H(D) , 316 of metal hydrides, 321-333 of Pb-H(D), 316 of PdH(D) , 311-314, 318, 359 of Th4H15' 314

Ta-H(D) elastic neutron scattering,107 phase diagram, 4-6 photoemission spectroscopy,

698

210, 211 (continued) Terminal Solubility

of Nb-H(D), 3 of Ta-H(D), 4 of V-H(D), 6

Thermopower in Pd-H, 561-565

Th4H15 superconductivity, 314

Thermal Desorption Spectroscopy of Nb-H, 67-70 of Pd-H, 55-60 theory of 61-66

TiCr1.8-H lattice parameters, 438 magnetic susceptibility, 431-441 proton NMR, 437-441

Ti-Cu-H Alloys magnetic susceptibility, 482 NMR studies of diffusion, 479-

483 site occupancy, 480

Ti-H enthalpy of formation, 50

Trapping micro structural traps, 555 of D by dislocations in Pd-D,

595-599 of D by 1111n atoms in Ni,

573, 574 of Hand D by vacancies, 567-578 of H in Nb-O-H and Nb-N-H,

133-137, 171-176, 485-496 of ~+ in Al and Al-based alloys,

516 of ~+ in metals, theory, 499-503 of n+ by 0 in Ta, 607, 608

Ultrasonic Attenuation in Nb-Q-H alloys, 133-137 in Pd-H(D), 139-144, 145-150

V-H(D) electronic structure, 307 phase diagram, 6-9 phase transitions in V2H(D),

153-162 photoemission spectroscopy, 210,

211

INDEX

V-Cr-H and V-Ti-H Alloys H diffusion coefficients, 465 inelastic neutron scattering,

200-202 lattice constants, 198, 199 magnetic susceptibility, 198,

199

X-ray Diffraction of Pd-H, strain effects, 115 of V-Cr-H and V-Ti-H alloys,

198 X-ray Scattering

studies of order-disorder in V2D and V2H, 153-162

studies of phase transitions in Nb-H, 117

Y-H DOS, 215 electron energy bands, 215, 217 magnetic impurities, 467-472 neutron scattering, 183-187 order-disorder, 205, 206 phase diagram, 184 site occupancy, 169, 183-187 T1 measurements, 467, 471

Zr-H NMR studies, 443-447

ZrMn2:t'Yllx enthalpy of formation, 387,388 entropy of formation, 385-389

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