Intrinsic DX Centers in Ternary Chalcopyrite Semiconductors

Journal Article · Tue Jan 01 04:00:00 EST 2008 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.100.016401· OSTI ID:982264

Lany, S; Zunger, A

In III-V and II-VI semiconductors, certain nominally electron-donating impurities do not release electrons but instead form deep electron-traps known as 'DX centers.' While in these compounds, such traps occur only after the introduction of foreign impurity atoms, we find from first-principles calculations that in ternary I-III-VI{sub 2} chalcopyrites like CuInSe{sub 2} and CuGaSe{sub 2}, DX-like centers can develop without the presence of any extrinsic impurities. These intrinsic DX centers are suggested as a cause of the difficulties to maintain high efficiencies in CuInSe{sub 2}-based thin-film solar-cells when the band gap is increased by addition of Ga.

• Research Organization: National Renewable Energy Laboratory (NREL), Golden, CO.
• Sponsoring Organization: USDOE
• DOE Contract Number: AC36-08GO28308
• OSTI ID: 982264
• Journal Information: Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 1, 2008 Vol. 100; ISSN 0031-9007; ISSN PRLTAO
• Country of Publication: United States
• Language: English

Related Subjects

14 SOLAR ENERGY
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
ATOMS
CHALCOPYRITE
ELECTRONS
IMPURITIES
Materials Science and Semiconductors
SOLAR CELLS
Solid State Theory
TRAPS