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

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10301 - Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2018

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Silicon

ISSN

1876-990X

e-ISSN

—

Svazek periodika

10

Číslo periodika v rámci svazku

5

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

10

Strana od-do

1893-1902

Kód UT WoS článku

000442754000012

EID výsledku v databázi Scopus

2-s2.0-85044952817