Compositionally induced valence-band offset at the grain boundary of polycrystalline chalcopyrites creates a hole barrier

被引：126

作者：

Persson, C ^{[1
]}

Zunger, A

机构：

[1] Royal Inst Technol, Dept Mat Sci & Engn, SE-10044 Stockholm, Sweden

[2] Natl Renewable Energy Lab, Golden, CO 80401 USA

来源：

APPLIED PHYSICS LETTERS | 2005年 / 87卷 / 21期

关键词：

D O I：

10.1063/1.2132537

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

First-principles calculations of model grain boundaries (GBs) in CuInSe2 and CaGaSe2 show that cation-terminated GBs have a valence-band offset with respect to the grain interior (GI). This offset repels holes from the GBs, thus depriving electrons there from recombination at the GB defects. Anion-terminated GBs have no such valence offset. CuGaSe2 has, in addition, a conduction-band offset at the GB/GI interface, attracting electrons to the GBs. These features explain how polycrystalline chalcopyrite solar cells could outperform their crystalline counterparts. (c) 2005 American Institute of Physics.

引用

页码：1 / 3

页数：3

共 17 条

[1] Direct observation of copper depletion and potential changes at copper indium gallium diselenide grain boundaries [J].

Hetzer, MJ ;

Strzhemechny, YM ;

Gao, M ;

Contreras, MA ;

Zunger, A ;

Brillson, LJ .

APPLIED PHYSICS LETTERS, 2005, 86 (16) :1-3

[2] Defect-induced nonpolar-to-polar transition at the surface of chalcopyrite semiconductors [J].

Jaffe, JE ;

Zunger, A .

PHYSICAL REVIEW B, 2001, 64 (24)

[3] ANION DISPLACEMENTS AND THE BAND-GAP ANOMALY IN TERNARY ABC2 CHALCOPYRITE SEMICONDUCTORS [J].

JAFFE, JE ;

ZUNGER, A .

PHYSICAL REVIEW B, 1983, 27 (08) :5176-5179

[4] Local built-in potential on grain boundary of Cu(In,Ga)Se2 thin films [J].

Jiang, CS ;

Noufi, R ;

AbuShama, JA ;

Ramanathan, K ;

Moutinho, HR ;

Pankow, J ;

Al-Jassim, MM .

APPLIED PHYSICS LETTERS, 2004, 84 (18) :3477-3479

[5] ABINITIO MOLECULAR-DYNAMICS FOR LIQUID-METALS [J].

KRESSE, G ;

HAFNER, J .

PHYSICAL REVIEW B, 1993, 47 (01) :558-561

[6] Cu depletion at the CuInSe2 surface [J].

Liao, DX ;

Rockett, A .

APPLIED PHYSICS LETTERS, 2003, 82 (17) :2829-2831

[7] The impact of charged grain boundaries on thin-film solar cells and characterization [J].

Metzger, WK ;

Gloeckler, M .

JOURNAL OF APPLIED PHYSICS, 2005, 98 (06)

[8] Anomalous grain boundary physics in polycrystalline CuInSe2:: The existence of a hole barrier -: art. no. 266401 [J].

Persson, C ;

Zunger, A .

PHYSICAL REVIEW LETTERS, 2003, 91 (26)

[9] Efficient bulk heterojunction photovoltaic cells using small-molecular-weight organic thin films [J].

Peumans, P ;

Uchida, S ;

Forrest, SR .

NATURE, 2003, 425 (6954) :158-162

[10] Photon emission in CuInSe2 thin films observed by scanning tunneling microscopy -: art. no. 143115 [J].

Romero, MJ ;

Jiang, CS ;

Noufi, R ;

Al-Jassim, M .

APPLIED PHYSICS LETTERS, 2005, 86 (14) :1-3

← 1 2 →