Effect of Si and Ge Surface Doping on the Be2C Monolayer: Case Study on Electrical and Optical Properties

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F18%3A43964123" target="_blank" >RIV/49777513:23640/18:43964123 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1007/s12633-017-9698-7" target="_blank" >https://doi.org/10.1007/s12633-017-9698-7</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1007/s12633-017-9698-7" target="_blank" >10.1007/s12633-017-9698-7</a>

Result language
angličtina
Original language name
Effect of Si and Ge Surface Doping on the Be2C Monolayer: Case Study on Electrical and Optical Properties
Original language description
The electronic and optical properties of X (Si, Ge) doped Be2C monolayer has been investigated using the all-electron full potential linear augmented plane wave (FP-LAPW+lo) method in a scalar relativistic version as embodied in the Wien2k code based on the density functional theory. Using cohesive energy calculation, it has been shown that the Si and Ge doped to Be2C monolayer have stable structures and the doping processes modified the direct band gaps. The calculated electronic band structure confirm the direct band gap nature since the conduction band minimum and the valence band maximum are located at the center of the Brillouin zone. The total and partial density of states help to gain further information regarding the hybridizations and the orbitals which control the energy band gap. The calculated optical properties help to gain deep insight into the electronic structure. Our calculated results indicate that the X (Si, Ge) doped Be2C monolayer can be have potential application in optoelectronics devices.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10301 - Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)

Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2018
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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