• Korean Journal of Materials Research
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• v.18 no.12
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• pp.673-677
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• 2008

Calcia (CaO) stabilized cubic-$HfO_2$ is studied by density functional theory (DFT) with generalized gradient approximation (GGA). When a Ca atom is substituted for a Hf atom, an oxygen vacancy is produced to satisfy the charge neutrality. The lattice parameter of a $2{\times}2{\times}2$ cubic $HfO_2$ supercell then increases by $0.02\;{\AA}$. The oxygen atoms closest to the oxygen vacancy are attracted to the vacancy as the vacancy is positive compared to the oxygen ion. When the oxygen vacancy is located at the site closest to the Ca atom, the total energy of $HfO_2$ reaches its minimum. The energy barriers for the migration of the oxygen vacancy were calculated. The energy barriers between the first and the second nearest sites, the second and the third nearest sites, and the third and fourth nearest sites are 0.2, 0.5, and 0.24 eV, respectively. The oxygen vacancies at the third and fourth nearest sites relative to the Ca atom represent the oxygen vacancies in undoped $HfO_2$. Therefore, the energy barrier for oxygen migration in the $HfO_2$ gate dielectric is 0.24 eV, which can explain the origin of gate dielectric leakage.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2008.11a
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• pp.293-294
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• 2008

CaO stabilized cubic-$HfO_2$ is studied by using Density Functional Theory with GGA. When a Ca atom is substituted for a Hf atom, an oxygen vacancy is produced to satisfy the charge neutrality condition. When the oxygen vacancy is located at the first nearest site from the Ca atom, the total energy of $HfO_2$ is the most favorable. We calculate the energy barriers for the oxygen vacancy migration. The energy barriers between the first and the second nearest sites, the second and the third nearest sites, and the third and fourth nearest sites are 0.2, 0.5, 0.24 eV, respectively. The oxygen vacancies at the third and fourth nearest sites from the Ca atom represent the oxygen vacancies in undoped $HfO_2$. Therefore, the energy barrier for oxygen migration in $HfO_2$ gate dielectricis is 0.24eV, which can explain a leakage origin of gate dielectric.

• Journal of the Korean Vacuum Society
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• v.18 no.1
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• pp.9-14
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• 2009

We calculated tetragonal-$HfO_2$/Si superstructures using density functional theory. When a and b-axes of cubic-$HfO_2$ were increased to be matched with those of Si for epitaxy contact, c-axis was decreased by 2%. Eight models of interface layers were produced by choosing different terminating layers of tetragonal-$HfO_2$ and Si substrate at the interface. It was found that tetragonal-$HfO_2$ $(004)_{1/4}$/Si $(004)_{3/4}$ superstructure was the most favorable and tetragonal-$HfO_2$ (004)$_{1/4}$/Si (002) superstructure was the most unfavorable. In tetragonal-$HfO_2$ $(004)_{1/4}$/Si (002) superstructure, there were two oxygen vacancies in tetragonal-$HfO_2$ as two oxygen atoms were moved to Si substrate located at the interface.

• Korean Journal of Materials Research
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• v.27 no.1
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• pp.48-52
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• 2017

In this study, we used I-V spectroscopy, photoconductivity (PC) yield and internal photoemission (IPE) yield using IPE spectroscopy to characterize the Schottky barrier heights (SBH) at insulator-semiconductor interfaces of Pt/$HfO_2$/p-type Si metal-insulator-semiconductor (MIS) capacitors. The leakage current characteristics of the MIS capacitor were analyzed according to the J-V and C-V curves. The leakage current behavior of the capacitors, which depends on the applied electric field, can be described using the Poole-Frenkel (P-F) emission, trap assisted tunneling (TAT), and direct tunneling (DT) models. The leakage current transport mechanism is controlled by the trap level energy depth of $HfO_2$. In order to further study the SBH and the electronic tunneling mechanism, the internal photoemission (IPE) yield was measured and analyzed. We obtained the SBH values of the Pt/$HfO_2$/p-type Si for use in Fowler plots in the square and cubic root IPE yield spectra curves. At the Pt/$HfO_2$/p-type Si interface, the SBH difference, which depends on the electrical potential, is related to (1) the work function (WF) difference and between the Pt and p-type Si and (2) the sub-gap defect state features (density and energy) in the given dielectric.

• Journal of the Korean Magnetics Society
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• v.9 no.3
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• pp.136-142
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• 1999

$Ni_{0.65}Zn_{0.35}Cu_{0.3}Fe_{1.7}O_4$ has been studied with x-ray diffraction, Mossbauer spectroscopy, and vibrating sample magnetometer. The crystal structure is found to be a cubic spinel with the lattice constant $a_0=8.403{\AA}$. Mossbauer spectra of have been taken at various temperatures ranging from 12 K to 665 K. as the temperature increases toward $T_N$ a systematic line broadening effect in the Mossbauer spectrum is observed and interpreted to originate from different temperature dependencies of the magenetic hyperfine fields at various iron sites. Also, by using binomial distribution equation we obtained the hyperfine fields of tetrahedral[A] and octahedral sites[B], $H_{hf}(A)=470\;kOe,\; H_{hf}(B0)=495 \;kOe,\; H_{hf}(B1)=485\;kOe, \;H_{hf}(B2)=453\;kOe,\; H_{hf}(B3)=424\;kOe,\; H_{hf}(B4)=390\;kOe,\; H_{hf}(Bavr)=451\;kOe$ respectively at room temperature. The isomer shift indicates that the iron ions are ferric at tetrahedral[A] and octahedral sites[B], respectively. The Neel temperature is determined to be $T_N=665\;K$. The results of the VSM data gave the magnetic moment and coercivity values of $M_S=66\; emu/g\;and\;H_C=36\;Oe$.

• Journal of the Korean Magnetics Society
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• v.17 no.1
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• pp.47-50
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• 2007

[ $ZnCr_2O_4$ ] shows geometrically frustrated magnet. Recently, $CoCr_2O_4$ has been investigated for multiferroic property and dielectric anomalies by spin-current model. Polycrystalline $CoCr_2O_4$ and $CoCrFeO_4$ compounds was prepared by wet-chemical process. Crystallographic and magnetic properties of $CoCr_2O_4$ and $CoCrFeO_4$ were investigate by using the x-ray diffractometer(XRD), vibrating sample magnetometer(VSM), superconducting quantum interference device magnetometer(SQUID), and $M\"{o}ssbauer$ spectroscopy. The crystal structure was found to be single-phase cubic spinel with space group of Fd3m. The lattice constants of $CoCr_2O_4$ and $CoCrFeO_4$ $a_0$ were determined to be 8.340 and 8.377 ${\AA}$, respectively. The ferrimagnetic transition temperature for the both samples were observed at 97 K and 320 K. The $M\"{o}ssbauer$ absorption spectra at 4.2 K show that the well developed two sextets are superposed with small difference of hyperfine field($H_{hf1}=507\;and\;H_{hf2}=492\;kOe$). Isomer shift values($\delta$) of the two sextets are found to be 0.33 and 0.34 mm/s relative to the Fe metal, respectively, which are consistent with the high spin $Fe^{3+}$ charge state.

• Journal of the Korean Magnetics Society
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• v.9 no.4
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• pp.177-183
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• 1999

Ultrafine $CoFe_{1.9}Bi_{0.1}O_4$ particles were fabricated by using a sol-gel method and their magnetic and structural properties were investigated with an x-ray diffractometer (XRD), a vibrating sample magnetometer (VSM), and a M$\"{o}$ssbauer spectrometer. The result of x-ray diffraction and M$\"{o}$ssbauer spectroscopy showed that the powders fired at and above 523 K had only cubic spinel structures. M$\"{o}$ssbauer spectra measurements showed that the powders annealed at 523,723 and 823 K possessed ferrimagnetic nature and paramagnetic nature due to superparamagnetism, simultaneously at room temperature and the powders annealed at and above 923 K behaved ferrimagnetically. In the case of the powder annealed at 923 K, the lattice constant was $a_0=8.398$\pm$0.005{\AA}$ and the hyperfine fields were $H_{hf}(A)=479kOe,\; H_{hf}(B)=502kOe$. The isomer shifts indicate that the iron ions are ferric at tetrahedral[A] and octahedral sites [B], respectively. The magnetization as a function of annealing temperature increased as increasing annealing temperature. The largest coercivity values were $H_C=1368\;Oe$ AT 923 K annealing temperature. In the case of the powder annealed at 1123 K, the magnetization value was $M_S=75\;emu/g$ and this value was similler to that of $CoFe_2O_4$.Fe_2O_4$.

• Journal of the Korean Magnetics Society
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• v.18 no.1
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• pp.24-27
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• 2008

We have prepared $MnFe_2O_4$ nanoparticles with polyol method. The crystallographic and magnetic properties were measured by using X-ray diffraction(XRD), vibrating sample magnetometer(VSM) and $M\"{o}ssbauer$ spectroscopy. The high resolution transmission electron microscope(HRTEM) shows uniform nanoparticle-sizes with $6{\sim}8$ nm. The crystal structure is found to be single-phase cubic spinel with space group of Fd3m. The lattice constant of $MnFe_2O_4$ nanparticles is determined to be $8.418{\pm}0.001{\AA}$. $M\"{o}ssbauer$ spectrum of $MnFe_2O_4$ nanparticles at room temperature(RT) shows a superparamagnetic behavior. In VSM analysis, the diagnosis of the superparamagnetic behavior is also shown in hysteresis loop at RT. $M\"{o}ssbauer$ spectrum at 4.2K shows that the well developed two sextets are with different hyperfine field $H_{hfA}=498$(A-site) and $H_{hfB}=521$(B-site) kOe.

• Journal of the Korean Magnetics Society
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• v.16 no.2
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• pp.144-148
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• 2006

$CoGa_{0.1}Fe_{1.9}O_4$ nanoparticles have been prepared by a sol-gel method. The structural and magnetic properties have been investigated by XRD, SEM, VSM and $M\ddot{o}ssbauer$ spectroscopy. $CoGa_{0.1}Fe_{1.9}O_4$ powder that was annealed at $250^{\circ}C$ has spinel structure and behaved superparamagnetically. The estimated size of superparammagnetic $CoGa_{0.1}Fe_{1.9}O_4$ nanoparticle is around 10 nm. The hyperfine fields at 4.2 K f3r the A and B patterns were found to be 518 and 486 kOe, respectively. The blocking temperature $(T_B)$ of superparammagnetic $CoGa_{0.1}Fe_{1.9}O_4$ nanoparticle is about 250 K. The magnetic anisotropy constant of $CoGa_{0.1}Fe_{1.9}O_4$ nanoparticle was calculated to be $3.0X10^5\;ergs/cm^3$. $CoGa_{0.1}Fe_{1.9}O_4$ nanoparticle was annealed at $250^{\circ}C$ will be used to candidate for biomedicine applications as magnetic carriers.

• Journal of the Korean Magnetics Society
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• v.16 no.1
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• pp.40-44
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• 2006

[ $Zn_{0.5}Ni_{0.5}Fe_2O_4$ ] nanoparticles have been prepared by a sol-gel method. The structural and magnetic properties have been investigated by XRD, SEM, and Mossbauer spectroscopy, VSM. $Zn_{0.5}Ni_{0.5}Fe_2O_4$ powder that was annealed at $300^{\circ}C$ has spinel structure and behaved superparamagnetically at room temperature. The estimated size of superparammagnetic $Zn_{0.5}Ni_{0.5}Fe_2O_4$ nanoparticle is around 7 nm. The hyperfine fields of the A and I patterns at 4.2 K were found to be 510 and 475 kOe, respectively. The blocking temperature $(T_B)$ of superparammagnetic $Zn_{0.5}Ni_{0.5}Fe_2O_4$ nanoparticle is about 90 K. The magnetic anisotropy constant and relaxation time constant of $Zn_{0.5}Ni_{0.5}Fe_2O_4$ nanoparticle were calculated to be $K=1.6\times10^6erg/cm^3$.