Title:	Effect of Si and Ge Surface Doping on the Be2C Monolayer: Case Study on Electrical and Optical Properties
Authors:	Naseri, Mosayeb Al-Jaary, Ali H. Reshak Boochani, Arash Rai, D. P. Matin, Laleh Farhang Solaymani, Shahram
Citation:	NASERI, M. AL-JAARY, AHR. BOOCHANI, A. RAI, DP. MATIN, LF. SOLAYMANI, S. Effect of Si and Ge Surface Doping on the Be2C Monolayer: Case Study on Electrical and Optical Properties. Silicon, 2018, roč. 10, č. 5, s. 1893-1902. ISSN: 1876-990X
Issue Date:	2018
Publisher:	Springer
Document type:	článek article
URI:	2-s2.0-85044952817 http://hdl.handle.net/11025/47162
ISSN:	1876-990X
Keywords in different language:	Be2C monolayer;electrical properties;optical properties;DFT calculations
Abstract in different language:	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.
Rights:	Plný text je přístupný v rámci univerzity přihlášeným uživatelům. © Springer
Appears in Collections:	Články / Articles OBD

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