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Stacking characteristics of close packed materials 

Loach, Christian H; Ackland, Graeme J
It is shown that the enthalpy of any close packed structure for a given element can be characterized as a linear expansion in a set of continuous variables α_n, which describe the stacking configuration. This enables us ...
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Quantum and isotope effects in lithium metal 

Martinez-Canales, Miguel; Ackland, Graeme J; Loa, Ingo
The crystal structure of elements at zero pressure and temperature is the most fundamental information in condensed matter physics. For decades it has been believed that lithium, the simplest metallic element, has a ...
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Infrared peak splitting from phonon localization in solid hydrogen 

Magdau, Ioan B; Ackland, Graeme J
Dataset contain CASTEP input and output for calculations of localization of phonons in C2c hydrogen under pressure. Also contains codes written in the project to extend the lattice dynamics calculation to large disordered ...
 

 

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Date Accessioned2017 (3)Data Creator
Ackland, Graeme J (3)
Loa, Ingo (1)Loach, Christian H (1)... View allSubject ClassificationMaterials Science (1)Solid state Physics (1)... View allSubject KeywordsDFT (2)Close Packed (1)crystallography (1)... View allFunderEPSRC - Engineering and Physical Sciences Research Council (3)ERC - European Research Council (1)The Royal Society (1)... View allTypedataset (3)
 

 

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