STUDI AB INITIO STRUKTUR ELEKTRONIK ZN1-XMXO(M=CD,CU) WURTZITE DENGAN TEORI FUNGSIONAL KERAPATAN BERBASIS METODE FP-LAPW
Ab initio calculations using full-potential linearized augmented plane-wave (FP-LAPW) have performed on Zn1-xMxO (M = Cd, Cu) materials. Generally, Cd or Cu incorporation on ZnO can decrease the bandgap of Zn1-xMxO and increase the density of states (DOS) at the gap region. Cd doping in ZnO decre...
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Main Author: | |
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Format: | Final Project |
Language: | Indonesia |
Subjects: | |
Online Access: | https://digilib.itb.ac.id/gdl/view/71749 |
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Institution: | Institut Teknologi Bandung |
Language: | Indonesia |
Summary: | Ab initio calculations using full-potential linearized augmented plane-wave (FP-LAPW)
have performed on Zn1-xMxO (M = Cd, Cu) materials. Generally, Cd or Cu incorporation
on ZnO can decrease the bandgap of Zn1-xMxO and increase the density of states
(DOS) at the gap region. Cd doping in ZnO decrease bandgap of Zn1-xMxO as increasing
Cd concentration. The Cd doping in ZnO also shift conduction band slightly to the
lower energy and also increase the DOS at the conduction band of Zn1-xCdxO. The
result of electronic band strucures of Zn1-xCdxO also showed the lines energy splitting.
The energy splitting on the Zn1-xCdxO alloy is increased as increasing Cd concentration
from 0.125 to 0.375. The result of the Zn1-xCuxO electronic band structures and DOS
calculations have the same tendency to the Zn1-xCdxO alloy, but Cu incorporations
give the more bandgap narrowing than Cd ones. The Zn1-xCuxO resulting DOS on
the maximum valence band and minimum conduction band have the larger DOS than
Zn1-xCdxO. |
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