Geodesic
Statistical theory of diffusion. Quantum states, configurational shape of a~potential, and two types of noncoherent transitions of a~hydrogen atom in metals
Teoretičeskaâ i matematičeskaâ fizika, Tome 50 (1982) no. 1, pp. 127-145

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The configurational shape of the potential of a light atom (hydrogen) in metals with bcc lattice is calculated using the methods of many-electron theory. It is shown that localized states of the proton are formed by local displacements of the atoms of the crystal, whereas in a “rigid” lattice the quantum states are delocalized in a time of the order of the ocsillation period of the proton. Two types of noncoherent transport of the hydrogen atom – “active” and “passive” hops – are investigated by means of data on the quantum states. It is shown that the rate of high-temperature noncoherent hopping of a light atom (“active” hopping) is determined by three processes: thermal activation, tunneling accompanied by motion of the deformation cloud, and intrasite transitions of the hydrogen due to two-phonon scattering. It is shown that the observed inflection in the temperature dependence of the activation energy is due to a change in the mechanism of the elementary hydrogen diffusion process, namely, the transition from passive to active transport. 
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     author = {Yu. A. Kashlev and G. S. Solov'ev},
     title = {Statistical theory of diffusion. {Quantum} states, configurational shape of a~potential, and two types of noncoherent transitions of a~hydrogen atom in metals},
     journal = {Teoreti\v{c}eska\^a i matemati\v{c}eska\^a fizika},
     pages = {127--145},
     publisher = {mathdoc},
     volume = {50},
     number = {1},
     year = {1982},
     language = {ru},
     url = {http://geodesic.mathdoc.fr/item/TMF_1982_50_1_a6/}
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Yu. A. Kashlev; G. S. Solov'ev. Statistical theory of diffusion. Quantum states, configurational shape of a~potential, and two types of noncoherent transitions of a~hydrogen atom in metals. Teoretičeskaâ i matematičeskaâ fizika, Tome 50 (1982) no. 1, pp. 127-145. http://geodesic.mathdoc.fr/item/TMF_1982_50_1_a6/