• Nuclear Engineering and Technology
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• v.1 no.2
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• pp.91-101
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• 1969

Resistivity changes of n-type float-zone silicon crystals with 6.4$\times$10$^{14}$ to 1.25$\times$10$^{17}$ phosphorus atoms/㎤ due to irradiation by (1) 1 MeV electrons, (2) two types of research reactors, and (3) $Co^{60}$ ${\gamma}$-ray sources were investigated. The results were analyzed on the basis of a simple exponential formula derived by Buehler. While the formula gave a fair fit in the low fluence range in most cases, the deviation was quite appreciable in the case of 1 MeV electron irradiation, and a linear change gave better fit in some cases. The large change in the carrier removal rate in electron-irradiated samples in the high fluence range was analyzed in detail in terms of the Fermi level cross-over of the defect levels. Based on the damage constants evaluated from the initial portion of data where the formula was applicable, the relative effectiveness of various radiation sources in causing the resistivity change in n-type silicon was compared. The TRIGA Mark II reactor neutrons, for example, were found to be about 40 times more effective than 1 MeV electrons. The dependence of the damage constant on the initial carrier concentration was also examined. The physical basis of the exponential law and the effect of the Fermi level cross-over of the defect levels on the resistivity change in the high fluence ranges are discussed.

• Progress in Superconductivity
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• v.12 no.2
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• pp.99-103
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• 2011

We performed angle resolved photoelectron spectroscopy (ARPES) studies on Ru doped $BaFe_2As_2$ with various Ru contents. Ru, which is doped into a parent compound $BaFe_2As_2$ and substitute Fe, does not donate or accept electrons. However, it induces superconductivity. From ARPES data along the high symmetry cuts and Fermi surface maps, we investigate the electron correlation and carrier density at the Fermi level. We observe that the Fermi velocity increases with Ru doping, suggesting reduction in electron correlation. In addition, we address issues on local vs. itinerant pictures for the magnetism in $BaFe_2As_2$.

• Korean Journal of Materials Research
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• v.29 no.7
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• pp.451-455
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• 2019

The electromagnetic and thermal properties of a heavy fermion $CeNi_2Ge_2$ are investigated using first-principle methods with local density approximation (LDA) and fully relativistic approaches. The Ce f-bands are located near the Fermi energy $E_F$ and hybridized with the Ni-3d states. This hybridization plays important roles in the characteristics of this material. The fully relativistic approach shows that the 4f states split into $4f_{7/2}$ and $4f_{5/2}$ states due to spin-orbit coupling effects. It can be found that within the LDA calculation, the density of states near the Fermi level are mainly of Ce-derived 4f states. The Ni-derived 3d states have high peaks around -1.7eV and spreaded over wide range around the Fermi level. The calculated magnetic of $CeNi_2Ge_2$ with LDA method does not match with that of experimental result because of strong correlation interaction between electrons in f orbitals. The calculations show that the specific heat coefficient underestimates the experimental value by a factor of 19.1. The discrepancy between the band calculation and experiment for specific heat coefficient is attributed to the formation of a quasiparticle. Because of the volume contraction, the exchange interaction between the f states and the conduction electrons is large in $CeNi_2Ge_2$, which increases the quasiparticle mass. This will result in the enhancement of the specific hear coefficient.

• Solar Energy
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• v.8 no.1
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• pp.68-73
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• 1988

In the glass/TCO/p-i-n a-Si/Al type of amorphous silicon solar cell, the effects on solar cell efficiency and metastability for the various kinds of TCO analyzed by SAM and ESCA, which was used to measure the diffusion profiles of In and Sn and the Fermi energy shifts in the TCO/p interface respectively. Indium which diffused into a-Si p-layer did not have any significant effects on the Fermi level shift of p-layer when the content of $B_2H_6/SiH_4$ in p-layer was at 1 gas%. The cell fabricated on $SnO_2$ turned out to have the best cell photovoltaic characteristics. ITO fabricated by electron beam deposition system, which was shown to have the greatest rate of diffusion of Indium in ITO/p interface produced the worst metastability among the cells tested.

• Proceedings of the Korean Vacuum Society Conference
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• 2014.02a
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• pp.169-169
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• 2014

Interfacial electronic structure of bathocuproine and Al was investigated using in-situ photoemission spectroscopy and density functional theory (DFT) calculations. Bathocuproine is used for exciton blocking and electron transport material in organic photovoltaics and Al is typical cathode material. When thin thickness of Al was thermally evaporated on BCP, gap states were observed by ultraviolet photoemission spectroscopy. The closest gap state yielded below 0.3 eV from Fermi level. By x-ray photoemission spectroscopy, interaction of Al with nitrogen of BCP was observed. To understand the origin of gap states, DFT calculation was carried out and gap states was verified with successive calculation of interaction of Al and nitrogen of BCP. Furthermore, emergency of another state above Fermi level was observed. Remarkable reduction of electron injection barrier between Al and BCP, therefore, is possible.

• Bulletin of the Korean Chemical Society
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• v.24 no.3
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• pp.325-333
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• 2003

An analysis of the electronic structure and bonding in the ternary silicide YNiSi₃is made, using extended Huckel tight-binding calculations. The YNiSi₃structure consists of Ni-capped Si₂dimer layers and Si zigzag chains. Significant bonding interactions are present between the silicon atoms in the structure. The oxidation state formalism of $(Y^{3+})(Ni^0)(Si^3)^{3-}$ for YNiSi₃constitutes a good starting point to describe its electronic structure. Si atoms receive electrons from the most electropositive Y in YNiSi₃, and Ni 3d and Si 3p states dominate below the Fermi level. There is an interesting electron balance between the two Si and Ni sublattices. Since the ${\pi}^*$ orbitals in the Si chain and the Ni d and s block levels are almost completely occupied, the charge balance for YNiSi₃can be rewritten as $(Y^{3+})(Ni^{2-})(Si^{2-})(Si-Si)^+$, making the Si₂layers oxidized. These results suggest that the Si zigzag chain contains single bonds and the Si₂double layer possesses single bonds within a dimer with a partial double bond character. Strong Si-Si and Ni-Si bonding interactions are important for giving stability to the structure, while essentially no metal-metal bonding exists at all. The 2D metallic behavior of this compound is due to the Si-Si interaction leading to dispersion of the several Si₂π bands crossing the Fermi level in the plane perpendicular to the crystallographic b axis.

• Proceedings of the Korean Vacuum Society Conference
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• 2010.02a
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• pp.342-342
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• 2010

We have investigated an Au intercalated monolayer graphene on Ni(111) using angle-resolved photoemission spectroscopy (ARPES), high resolution photoemission spectroscopy (HRPES), and low energy electron diffraction (LEED) at the 3A2 ARUPS beamline in Pohang Accelerator Laboratory. We find the monolayer graphene is well grown on the Ni(111) surface by the adsorption of acetylene. However, the graphene does not show the characteristic $\pi$ band near the Fermi level due to its strong interaction with the underlying substrate. When Au is adsorbed on the surface and then annealed at high temperature, we observe that Au is intercalated underneath the monolayer graphene. The process of the Au intercalation was monitored by HRPES of corresponding Au 4f and C 1s core levels as well as the electronic structure of the $\sigma$, $\pi$ states at $\Gamma$, K points. The $\sigma$, $\pi$ bands of graphene shift towards the Fermi level and the $\pi$ band is clearly observed at K point after the intercalation of full monolayer Au. The full width at half maximum (FWHM) of the C 1s peak narrows to approximately 0.42 eV after intercalation. These results imply that the interaction between the graphene and substrate is considerably weakened after the Au intercalation. We will discuss the graphene is really closer to ideal free standing graphene suggested recently.

• Journal of Magnetics
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• v.7 no.4
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• pp.132-137
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• 2002

The electronic structures and magnetism of the non-oxide perovskite MgCFe$_3$(001) surface were investigated by using the all-electron full-potential linearized augmented plane wave (FLAPW) method within the generalized gradient approximation (GGA). We considered both of the MgFe terminated (MgFe-Term) and the CFe terminated (CFe-Term) surfaces. We found that the minority spin d-bands of Fe(S) of the MgFe-Term are strongly localized and Fermi level (EF) lies just below the sharp peak of the minority spin d-band of Fe(S), while the minority spin d-bands of Fe(S) of the CFe-Term are not localized much and Fermi level (E$_F$) lies in the middle of two peaks of the minority spins. The majority Fe(S) d-band width of MgFe- Term is narrower than that of the CFe-Term. It is found that the magnetic moment of Fe(S) of the MgFe- Term is 2.51 ${\mu}$$_B$, which is much larger than that of 1.97 ${\mu}$$_B$ of the CFe-Term.

• Korean Journal of Materials Research
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• v.30 no.12
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• pp.666-671
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• 2020

The electronic structure and magnetic properties of chalcopyrite (CH) AlGaAs2 with dopant Mn at 3.125 and 6.25 % concentrations are investigated using first-principles calculations. The CH AlGaAs2 alloy is a p-type semiconductor with a small band-gap. The AlGaAs2:Mn shows that the ferromagnetic (FM) state is the most energetically favorable one. The Mn-doped AlGaAs2 exhibits FM and strong half-metallic ground states.The spin polarized Al(Ga,Mn)As2 state (Al-rich system) is more stable than the (Al,Mn)GaAs2 state (Ga-rich system), which has a magnetic moment of 3.82mB/Mn. The interaction between Mn-3d and As-4p states at the Fermi level dominates the other states.The states at the Fermi level are mainlyAs-4p electrons, which mediate strong interaction between the Mn-3d and As-4p states. It is noticeable that the FM ordering of dopant Mn with high magnetic moment originates from the As(4p)-Mn(3d)-As(4p) hybridization, which is attributed to the partially unfilled As-4pbands. The high FM moment of Mn is due to the double-exchange mechanism mediated by valence-band holes.

• Proceedings of the Korean Vacuum Society Conference
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• 1994.02a
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• pp.43-43
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• 1994

We studied chemical reactio of Eu metal on the in situ cleaved CdTe(110) surface by pphotoemission sppectroscoppy using synchrotron radiation. The chamber was maintained with base ppressure $\leq$2${\times}$10-10 mb during the expperiment. The expperiment was carried out in pphoton Factory in Jappan. Core level pphotoemission sppectroscoppy was carried out with Al K${\alpha}$ Line. The CdTe simiconductor was determined to be pp-typpe with low dopping concentration from Hall measurement. We found that there are two reacted pphases of Te with Eu (related to divalent Eu and trivalent Eu, resppectively) from least square fitting of Te 4d sppectra, but three is no indication of Cd reaction. Trivalent Eu exists after roughly one monolayer depposition (600 sec. depposition time is considered as one monolayer), which is also observed at Eu 3d core level sppectra. Overlayer Eu is metallized after roughly 2 monolayers depposition, as can be deduced from the fact that metallic edge near Fermi level begins to appear. The intensity of core-level of Te decreases expponentially at the initial stage (near one monolayer) and after one monolayer depposition it decreases more slowly due to Te out-diffusion. We categorized the growth mode of Eu on CdTe as S-K growth mode (cluster formation after one monolayer deppisition) from the relative intensity pplot of Te 4d normalized to the cleaved surface. At cleaved surface band bending is already established due to surface defects. At first 100 sec. depposition time the shift toward lower binding side by 0.6 eV is found at all core level sppectra of all elements in semiconductor. This shift is considered as the re-adjustment of surface Fermi level to the pposition induced by Eu metal (0.2 eV above the valence band maximum).