2015
DOI: 10.1016/j.jnoncrysol.2014.08.006
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Effects of site-occupation disorder on the low-temperature thermal conductivity of molecular crystals

Abstract: The thermal conductivity of CBrnCl4−n,(n= 0,1,2) and 2-adamantanone (C10H14O) crystals which exhibit substitutional disorder has been measured for temperatures between 2 K and 150 K. Such temperatures comprise signatures of dynamical processes involving the site occupancy of the chlorine and bromine atoms for CBrnCl4−n,(n= 0,1,2) and the oxygen atom for (C10H14O), as it has been revealed by both, calorimetry and spectroscopic techniques. The data analysis is carried out in terms of several phonon scattering ch… Show more

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Cited by 13 publications
(10 citation statements)
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“…Although the occupational disorder should be absent in the reference case of tetrachloromethane, CCl 4 51-53 , the same dynamics has been strikingly revealed by NQR measurements 41 and molecular dynamics simulation 50 . On the other hand, thermal conductivity measurements 54 in the same three halomethane crystals have shown an absence of the characteristic glassy anomalies at moderately low temperatures. The thermal conductivity of these molecular crystals was found to display two distinct temperature regions, the boundary of which roughly coincided with the abovementioned glasslike transitions.…”
Section: Introductionmentioning
confidence: 85%
“…Although the occupational disorder should be absent in the reference case of tetrachloromethane, CCl 4 51-53 , the same dynamics has been strikingly revealed by NQR measurements 41 and molecular dynamics simulation 50 . On the other hand, thermal conductivity measurements 54 in the same three halomethane crystals have shown an absence of the characteristic glassy anomalies at moderately low temperatures. The thermal conductivity of these molecular crystals was found to display two distinct temperature regions, the boundary of which roughly coincided with the abovementioned glasslike transitions.…”
Section: Introductionmentioning
confidence: 85%
“…As a source of entropy, materials undergoing order-disorder transitions have been attracted particular interest because the increase in the number of accessible configurations from N 2 to N 1 occurring across the transition contributes to a specific entropy change RM −1 log(N 1 /N 2 ), that in some cases may reach very large values. Unfortunately, dynamic disorder usually goes against thermal conductivity [32] and density, so it seems hard to foresee an ideal material gathering all the aforementioned properties at the same time. Therefore, a trade-off between opposing features must be reached.…”
Section: Discussionmentioning
confidence: 99%
“…On the other hand, powdered materials display lower thermal conductivities than their single crystal counterparts because the free path is shortened due to phonon scattering at the grain boundary. However, powder can be combined with a small percentage of excellent conducting nanoparticles [53] or embedded in highly conductive porous matrix [54][55][56][57][58] resulting in a composite with notably improved thermal conductivity. Finally, as an added value for technological applications, it must be noted that both compounds under study are of low cost, low toxicity (irritant) and nonhazardous [59,60].…”
Section: Discussionmentioning
confidence: 99%