Influence of Secondary Phases in Kesterite-Cu2ZnSnS4Absorber Material Based on the First Principles Calculation

The influence of secondary phases of ZnS and Cu2SnS3(CTS) in Cu2ZnSnS4(CZTS) absorber material has been studied by calculating the band offsets at the CTS/CZTS/ZnS multilayer heterojunction interfaces on the basis of the first principles band structure calculation. The ZnS/CZTS heterointerface is of type I and since ZnS has a larger band gap than that of CZTS, the ZnS phase in CZTS is predicted to be resistive barriers for carriers. The CTS/CZTS heterointerface is of type I; that is, the band gap of CTS is located within the band gap of CZTS. Therefore, the CTS phase will act as a recombination site in CZTS.

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Low Temperature Photoluminescence Studies of Narrow Bandgap Gaassbn Quantum Wells on GaAs

MRS Proceedings ◽

10.1557/proc-744-m10.3 ◽

2002 ◽

Vol 744 ◽

Author(s):

K.E. Waldrip ◽

E.D. Jones ◽

N.A. Modine ◽

F. Jalali ◽

J.F. Klem ◽

...

Keyword(s):

Low Temperature ◽

Quantum Wells ◽

Band Gap ◽

First Principles ◽

Structure Calculation ◽

Ex Situ ◽

Band Structure Calculation ◽

Narrow Bandgap ◽

Order Of Magnitude ◽

Photoluminescence Studies

We present low-temperature (T = 4K) photoluminescence studies of the effect of adding nitrogen to 6-nm-wide single-strained GaAsSb quantum wells on GaAs. The samples were grown by both MBE and MOCVD tech-niques. The nominal Sb concentration is about 30%. Adding about 1 to 2% N drastically reduced the bandgap energies from 1 to 0.75 eV, or 1.20 to 1.64 μm. Upon performing ex situ rapid thermal anneals, 825°C for 10s, the band gap energies as well as the photoluminescence intensities increased. The intensities increased by an order of magnitude for the annealed samples and the band gap energies increased by about 50 - 100 meV, depending on growth temperatures. The photoluminescence linewidths tended to decrease upon annealing. Preliminary results of a first-principles band structure calculation for the GaAsSbN system are also presented.

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AB-INITIO BAND STRUCTURE CALCULATION FOR MAGNETIC MULTILAYERS

International Journal of Modern Physics B ◽

10.1142/s0217979293000950 ◽

1993 ◽

Vol 07 (01n03) ◽

pp. 456-459 ◽

Cited By ~ 1

Author(s):

J. STICHT ◽

F. HERMAN ◽

J. KÜBLER

Keyword(s):

Magnetic Properties ◽

Band Structure ◽

Total Energy ◽

Ab Initio ◽

Coupling Strength ◽

First Principles ◽

Exchange Coupling ◽

Magnetic Multilayers ◽

Structure Calculation ◽

Band Structure Calculation

The magnetic properties of magnetic multilayers are studied using first principles total energy calculations. In this paper we present our results for bcc Fe multilayers with a (001) stacking direction. Using Nb as a spacer material we find an oscillating exchange coupling with a period of about 4.6 Å( ≈3 Nb monolayers). A detailed study of the magetic moments in the Nb spacer is given. Furthermore we discuss the dependence of the exchange coupling strength as a function of the thickness of the Fe slabs.

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First principles band structure calculation and electron transport for strained InAs

Conference Proceedings. 1998 International Conference on Indium Phosphide and Related Materials (Cat. No.98CH36129) ◽

10.1109/iciprm.1998.712412 ◽

2002 ◽

Cited By ~ 2

Author(s):

Y. Hori ◽

Y. Miyamoto ◽

Y. Ando ◽

O. Sugino

Keyword(s):

Electron Transport ◽

Band Structure ◽

First Principles ◽

Structure Calculation ◽

Band Structure Calculation

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Strain sensitivity of band structure and electron mobility in perovskite BaSnO3: first-principles calculation

RSC Advances ◽

10.1039/c9ra02146a ◽

2019 ◽

Vol 9 (25) ◽

pp. 14072-14077 ◽

Cited By ~ 3

Author(s):

Yaqin Wang ◽

Runqing Sui ◽

Mei Bi ◽

Wu Tang ◽

Sude Ma

Keyword(s):

Crystal Structure ◽

Electronic Structure ◽

Band Structure ◽

Electron Mobility ◽

First Principles ◽

Structure Calculation ◽

First Principles Calculation ◽

Strain Sensitivity ◽

Biaxial Strain ◽

Electron Effective Mass

A first-principles electronic structure calculation is utilized to contrastively investigate the crystal structure, band structure, electron effective mass and mobility of perovskite BaSnO3 under hydrostatic and biaxial strain.

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