2005
DOI: 10.1103/physrevb.71.144107
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Crystal structures, atomic vibration, and disorder of the type-I thermoelectric clathratesBa8Ga16Si30,<

Abstract: Temperature dependent synchrotron powder diffraction and single crystal neutron diffraction data are used for probing the vibrational states and disorder in type I an empirical disorder term is included, the temperature dependence of the atomic displacement factors ͑ADPs͒ of the framework and guest atoms can be described by a Debye and Einstein model, respectively. None of the guest atoms in the large cages are located in the center and the vibrational frequencies ͑ E ͒ are of the order 80 K or larger for all … Show more

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Cited by 153 publications
(101 citation statements)
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“…The Debye temperature θ D for M 0 was reported to be 203 K by the analysis of the atomic displacement parameters. 32 We assumed θ D to be unchanged for the alloyed samples because of the small x value.…”
Section: Resultsmentioning
confidence: 99%
“…The Debye temperature θ D for M 0 was reported to be 203 K by the analysis of the atomic displacement parameters. 32 We assumed θ D to be unchanged for the alloyed samples because of the small x value.…”
Section: Resultsmentioning
confidence: 99%
“…In order to obtain an estimate of the characteristic energy scales of the atomic motions the U iso's for Sn and Se were fitted below 800 K using 29,30 …”
mentioning
confidence: 99%
“…Прежде всего это сорт инкапсулированного атома. Показано как экспериментально, так и теорети-чески, что сорт этого атома влияет на электронные, сверхпроводящие, а также механические свойства кри-сталла [2][3][4]13,14]. Еще одна возможность -замещение атомов решетки-хозяина атомами другого сорта.…”
Section: Introductionunclassified