Atomistic investigation of the electronic structure, thermal properties and conduction defects in Ge-rich GexSe1−x materials for selector applications

We investigate the electronic structure and defects of Ge x Se 1-x materials at the atomic level, using full-layer-thickness (5nm) amorphous models. In Ge-rich Ge x Se 1-x , the nature of the mobility gap defects is mostly related to miscoordinated Ge. The population/localization of mobility-gap sta...

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Bibliographic Details
Main Authors: Clima, S., Govoreanu, B., Opsomer, K., Velea, A., Avasarala, N. S., Devulder, W., Shlyakhov, I., Donadio, G. L., Witters, T., Kundu, S., Goux, L., Afanasiev, V., Kar, G. S., Pourtois, G.
Format: Conference Proceeding
Language:English
Subjects:
Conductivity
Electric fields
Orbits
Semiconductor process modeling
Thermal conductivity
Thermal stability
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Summary:We investigate the electronic structure and defects of Ge x Se 1-x materials at the atomic level, using full-layer-thickness (5nm) amorphous models. In Ge-rich Ge x Se 1-x , the nature of the mobility gap defects is mostly related to miscoordinated Ge. The population/localization of mobility-gap states changes solely under the effect of electric field. Strong covalent bonds introduced by N doping in the material increase its thermal conductivity and crystallization temperature beyond 600C. C/N dopants are found to add/remove mobility-gap states in the doped systems. Our investigation sets guidelines for material design in view of improved electro-thermal device performance.
ISSN:2156-017X
DOI:10.1109/IEDM.2017.8268323