First‐principles study of oxygen‐doping states in II‐VI semiconductors

Ishikawa, Masato; Nakayama, Takashi

doi:10.1002/pssc.201300249

Cited by 11 publications

(5 citation statements)

References 14 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…It is well known that when N atoms are doped into direct band-gap systems such as GaInAs, reflecting the strong interaction between electron-unoccupied N 3 s state and conduction-band s-orbital states around the Γ point, the lowest conduction-band of the host semiconductor splits into two to reduce the band-gap energy, and the band states localized around doped N atom appear in the conduction bands with an almost flat dispersion. [45][46][47][48][49][50] Such changes in conduction bands are clearly seen in the present calculated band structures of Figs. 1(d) and 1(e), which is often called N-atom-induced band anti-crossing and is actually observed in photo-absorption and photo-reflectance experiments for dilute nitride semiconductors.…”

Section: Case Of Indirect Band-gap Systemssupporting

confidence: 66%

Enhancement of tunneling currents by isoelectronic nitrogen-atom doping at semiconductor pn junctions; comparison of indirect and direct band-gap systems

Cho

Nakayama

2022

Jpn. J. Appl. Phys.

Self Cite

View full text Add to dashboard Cite

Enhancement of tunneling currents by the isoelectronic Al-N/N-atom doping is studied at the pn junctions made of Si, Ge, GaP, InP, and GaAs semiconductors, using the sp3d5s* tight-binding model and the non-equilibrium Green’s function method. With respect to indirect band-gap systems, the doping produces the impurity state in the band gap, and such state produces the resonance with conduction-band states of n-type layers under the electric field. We show that this resonance state works to decrease the tunneling length and promotes the marked enhancement of tunneling current. As for direct band-gap systems, on the other hand, the N-atom doping not only produces the localized N-atom state in the conduction bands but also reduces the band-gap energy. We show that the localized N-atom state does not contribute to the tunneling current, while the band-gap reduction shortens the tunneling length a little and slightly increases the tunneling current.

show abstract

Section: Case Of Indirect Band-gap Systemssupporting

confidence: 66%

Enhancement of tunneling currents by isoelectronic nitrogen-atom doping at semiconductor pn junctions; comparison of indirect and direct band-gap systems

Cho

Nakayama

2022

Jpn. J. Appl. Phys.

Self Cite

View full text Add to dashboard Cite

show abstract

“…It is well known that N and O doping into III-V and II-VI semiconductors produces localized electronic states made of N-3s and O-3s orbitals around the conduction bands of the host semiconductors and promotes strong optical transitions useful for solar-cell applications. [22][23][24][25][26][27] From this viewpoint, we can expect that the controlled doping of N and O atoms into semiconductors will promote new functions for electronic and optical devices.…”

Section: Cation+p and Cation+as Pairsmentioning

confidence: 99%

Stability and electronic structures of isoelectronic impurity complexes in Si: First-principles study

Iizuka

Nakayama

2016

Jpn. J. Appl. Phys.

Self Cite

View full text Add to dashboard Cite

The stability and electronic structures of various isoelectronic cation+anion pairs in Si were studied by first-principles calculations. It was shown that the nearest-neighboring substitutional configuration is the most stable structure for most cation+anion pairs, while B+N, Mg+O, and Be+O pairs preferentially occupy a single Si site owing to the small atomic radii of B, N, and O atoms. We found that only Al+N, Ga+N, and In+N pairs produce electron-unoccupied weakly localized states in the band gap of Si, reflecting the large negativity of N atoms. We also showed that single N doping produces N+N pairs and that such pairs induce no electronic states in the band gap of Si. Therefore, the codoping of Al and N atoms is essential to produce an electronic state in the Si band gap and increase the tunneling current in Si tunneling field-effect transistors.

show abstract

“… oxygen impurity atoms were considered as a possible cause of formation of Zn vacancies, and the electronic structure of oxygen‐doped ZnSe crystal was studied in Ref. .…”

Section: Introductionmentioning

confidence: 99%

Ultrasonic exploration of vacancy centres with the Jahn-Teller effect. Application to the ZnSe crystal

Averkiev

Берсукер

Гудков

et al. 2014

Phys. Status Solidi B

View full text Add to dashboard Cite

We show that the structure, properties, and concentration of vacancies in crystals can be studied by ultrasonic experiments previously employed for impurity centres only. Measurements of the temperature dependence of attenuation and phase velocities of ultrasonic shear waves of 52 MHz propagating along the crystallographic axis [110] of nominally pure ZnSe single crystals (grown by the seeded physical vapour transport method) show strong anomalies which are typical for relaxation processes in system with isolated Jahn–Teller (JT) centres. The observed JT distortion mode is trigonal, subject to a threefold orbitally degenerate T‐term interaction with trigonal and tetragonal nuclear displacements. In the absence of sufficiently high concentrations of impurity atoms with such properties we attributed the observed JT centres to zinc vacancies. The temperature dependence of the isothermal and adiabatic forms of the appropriate elastic modulus and the relaxation time show that the relaxation mechanism changes from thermal activation at higher temperatures to tunnelling through a potential energy barrier below 18 K. We provide an estimate of the magnitude of the potential barrier, as well as the pseudorotation frequency and concentration of vacancies. Also we determine the extremum points of the adiabatic potential energy surface of the vacancy centre.

show abstract

First‐principles study of oxygen‐doping states in II‐VI semiconductors

Cited by 11 publications

References 14 publications

Enhancement of tunneling currents by isoelectronic nitrogen-atom doping at semiconductor pn junctions; comparison of indirect and direct band-gap systems

Enhancement of tunneling currents by isoelectronic nitrogen-atom doping at semiconductor pn junctions; comparison of indirect and direct band-gap systems

Stability and electronic structures of isoelectronic impurity complexes in Si: First-principles study

Ultrasonic exploration of vacancy centres with the Jahn-Teller effect. Application to the ZnSe crystal

Contact Info

Product

Resources

About