First-Principles Study on the Half-Metallic Ferromagnetism and Optical Properties of Fe-Doped CdSe and Co-Doped CdSe

Tian, Jun-Hong; Song, Ting; Sun, Xiaowei; Wang, T.; Jiang, Gang

doi:10.1007/s10948-016-3691-z

Cited by 23 publications

(10 citation statements)

References 32 publications

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“…This is also consistent with other reported works. [ 24–26 ] However, the doped Fe atoms themselves constitute additional absorption centers: First, under irradiation with a pulsed laser, the electrons in the Fe defect levels are excited to the conduction band. Then, the hot electrons jump from the higher energy levels to the bottom of the conduction band through carrier–lattice interactions, thereby releasing thermal energy.…”

Section: Resultsmentioning

confidence: 99%

“…The stress field is also affected by this coefficient; as shown in Figure 7c,e, the value of the peak stress increases with an increase in the light absorption coefficient. We can, thus, conclude from the calculations and analyses that as the concentration of doped Fe in the material increases, the light absorption coefficient of the material increases [ 25 ] along with the peak stress of the film in the LLO process.…”

Section: Resultsmentioning

confidence: 99%

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Buckling on Fe‐Doped AlGaN/GaN High Electron Mobility Transistor Films after Laser Liftoff Process: Phenomena and Mechanism

Xiao

Guo

et al. 2021

Physica Status Solidi (a)

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The influence of Fe in the buffer layer on the laser liftoff (LLO) of GaN high electron mobility transistors is presented herein. LLO is performed on Fe‐doped GaN films using a KrF excimer LLO system. The morphology, crystal characteristics, and 2D electron gas (2DEG) characteristics of the GaN films after LLO are characterized using a 3D optical microscope, X‐ray diffraction, and Hall methods. The present work is different from previous methods because of the large‐area buckling instead of cracks on the Fe‐doped GaN films. The results show that the crystal quality and 2DEG characteristics of the buckled parts are significantly affected. Furthermore, a modified simulation model of the temperature and thermal‐induced stress fields in the films is used to explain the buckling of the films, whose results are consistent with the characterization results. The additional absorption centers induced by the Fe impurity energy levels increase the gradient of temperature field, thereby increasing the compressive stresses in the films at the edges of the laser spots. Moreover, a higher temperature is observed at the interface between the film and the bonding glue, which results in the debonding. Therefore, Fe‐doped GaN films are more prone to buckling than unintentionally doped GaN films.

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Buckling on Fe‐Doped AlGaN/GaN High Electron Mobility Transistor Films after Laser Liftoff Process: Phenomena and Mechanism

Xiao

Guo

et al. 2021

Physica Status Solidi (a)

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“…The imaginary part

ε_{2} (ω)

describes energy losses encountered in polarizing solids and reflects electron transitions from the occupied states to the unoccupied states [29], while the real part

ε_{1} (ω)

represents the polarization strength induced by an external electric field and can be obtained from the imaginary part

ε_{2} (ω)

by using the Kramers–Kroing dispersion relation [30]. …”

Section: Resultsmentioning

confidence: 99%

Electronic, Optical, and Lattice Dynamical Properties of Tetracalcium Trialuminate (Ca4Al6O13)

Mei¹,

Zhong²,

Wang³

et al. 2018

Materials

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The electronic, optical, and lattice dynamical properties of tetracalcium trialuminate (Ca4Al6O13) with a special sodalite cage structure were calculated based on the density functional theory. Theoretical results show that Ca4Al6O13 is ductile and weakly anisotropic. The calculated Young’s modulus and Poisson ratio are 34.18 GPa and 0.32, respectively. Ca4Al6O13 is an indirect-gap semiconductor with a band gap of 5.41 eV. The top of the valence band derives from O 2p states, and the bottom of conduction band consists of Ca 3d states. Transitions from O 2p, 2s states to empty Ca 4s, 3d and Al 3s, 3p states constitute the major peaks of the imaginary part of the dielectric function. Ca4Al6O13 is a good UV absorber for photoelectric devices due to the high absorption coefficient and low reflectivity. The lattice vibration analysis reveals that O atoms contribute to the high-frequency portions of the phonon spectra, while Ca and Al atoms make important contributions to the middle- and low-frequency portions. At the center of the first Brillouin zone, lattice vibrations include the Raman active modes (E, A1), infrared active mode (T2), and silentmodes (T1, A2). Typical atomic displacement patterns were also investigated to understand the vibration modes more intuitively.

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“…In FeZnO, the RT-FM was assigned by electronic structure calculations to formation of a half-metallic system. 39 In our recent study on FeZnSe QDs, a priori DFT calculations revealed the Fe(III) centers localize as antisites, forming ferrimagnetic spin clusters within the QD lattice. The antisite pairing results in complex antiferromagnetic−ferromagnetic interactions accounting for the observed RT-FM behavior.…”

mentioning

confidence: 96%

“…The presence of iron guest ions was reported to lead to room-temperature ferromagnetism (RT-FM) in FeCdSe and FeZnO , QDs. In FeZnO, the RT-FM was assigned by electronic structure calculations to formation of a half-metallic system . In our recent study on FeZnSe QDs, a priori DFT calculations revealed the Fe(III) centers localize as antisites, forming ferrimagnetic spin clusters within the QD lattice.…”

mentioning

confidence: 99%

Evidence of Ferrimagnetism in Fe-Doped CdSe Quantum Dots

et al. 2018

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Two interacting spin sublattices are observed for 5.1 nm Fe (4.6%) CdSe quantum dots giving rise to a superparamagnetic material with a blocking temperature of ∼90 K. The fieldand temperature-dependent 57 Fe Mossbauer spectra reveal that the observed magnetic properties arise from the antiparallel alignment of two dissimilar, Fe(III)-based spin−lattices. Comparison of the experimental data with density functional theory calculations suggests the formation of an ordered minor and major spin−lattice within the quantum dot (QD) can be ascribed to the antisite pair formation of the Fe(III) centers around a cadmium vacancy.

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First-Principles Study on the Half-Metallic Ferromagnetism and Optical Properties of Fe-Doped CdSe and Co-Doped CdSe

Cited by 23 publications

References 32 publications

Buckling on Fe‐Doped AlGaN/GaN High Electron Mobility Transistor Films after Laser Liftoff Process: Phenomena and Mechanism

Buckling on Fe‐Doped AlGaN/GaN High Electron Mobility Transistor Films after Laser Liftoff Process: Phenomena and Mechanism

Electronic, Optical, and Lattice Dynamical Properties of Tetracalcium Trialuminate (Ca4Al6O13)

Evidence of Ferrimagnetism in Fe-Doped CdSe Quantum Dots

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