Understanding the p-Type Conduction Properties of the Transparent Conducting Oxide CuBO2: A Density Functional Theory Analysis

Chemistry of Materials - Tập 21 Số 19 - Trang 4568-4576 - 2009
David O. Scanlon1, Aron Walsh2, Graeme W. Watson1
1School of Chemistry, Trinity College Dublin, Dublin 2, Ireland
2Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, U.K.

Tóm tắt

Từ khóa


Tài liệu tham khảo

Gordon R. G., 2000, MRS Bull., 25, 52, 10.1557/mrs2000.151

Banerjee A. N., 2005, Prog. Cryst. Growth Charact. Mater., 50, 52, 10.1016/j.pcrysgrow.2005.10.001

Thomas G., 1997, Nature, 389, 907, 10.1038/39999

Godinho K. G., 2008, J. Phys. Chem. C, 113, 439, 10.1021/jp807753t

Walsh A., 2008, Phys. Rev. Lett., 100, 167402, 10.1103/PhysRevLett.100.167402

Kohan A. F., 2000, Phys. Rev. B, 61, 15019, 10.1103/PhysRevB.61.15019

Minami T., 2005, Semicond. Sci. Technol., 20, S35, 10.1088/0268-1242/20/4/004

Schirmer O. F., 2006, J. Phys.: Condens. Matter, 18, R667

Li J., 2006, Phys. Rev. B, 74, 081201, 10.1103/PhysRevB.74.081201

Yan J. B., 2007, Phys. Rev. Lett., 98, 135506, 10.1103/PhysRevLett.98.135506

Kawazoe H., 1997, Nature, 389, 939, 10.1038/40087

Hu J. P., 2008, Phys. Rev. B, 77, 155115, 10.1103/PhysRevB.77.155115

Kawazoe H., 2000, MRS Bull., 25, 28, 10.1557/mrs2000.148

Buljan A., 1999, J. Phys. Chem. B, 103, 8060, 10.1021/jp984420a

Kandpal H. C., 2002, Solid State Sci., 4, 1045, 10.1016/S1293-2558(02)01363-8

Aston D. J., 2005, Phys. Rev. B, 72, 195115, 10.1103/PhysRevB.72.195115

Yanagi H., 2000, J. Appl. Phys., 88, 4059, 10.1063/1.1308103

Önsten A., 2007, Phys. Rev. B, 76, 115127, 10.1103/PhysRevB.76.115127

Laskowski R., 2003, Phys. Rev. B, 67, 075102, 10.1103/PhysRevB.67.075102

Köhler B. U., 1986, Z. Anorg. Allg. Chem., 543, 73, 10.1002/zaac.19865431209

Filippetti A., 2005, Phys. Rev. B, 72, 035128, 10.1103/PhysRevB.72.035128

Ruiz E., 1997, Phys. Rev. B, 56, 7189, 10.1103/PhysRevB.56.7189

Buljan A., 2001, Chem. Mater., 13, 338, 10.1021/cm001153o

Marquardt M. A., 2006, Thin Solid Films, 496, 146, 10.1016/j.tsf.2005.08.316

Kudo A., 1998, Appl. Phys. Lett., 73, 220, 10.1063/1.121761

Godinho K. G., 2008, J. Mater. Chem., 18, 2798, 10.1039/b719364e

Ueda K., 2000, Appl. Phys. Lett., 77, 2701, 10.1063/1.1319507

Nagarajan R., 2001, J. Appl. Phys., 89, 8022, 10.1063/1.1372636

Ueda K., 2001, J. Appl. Phys., 89, 1790, 10.1063/1.1337587

Yanagi H., 2001, Appl. Phys. Lett., 78, 1583, 10.1063/1.1355673

Madelung O., 1987, Landolt-Bornstein: Numerical Data and Functional Relationships in Science and technology, 22

Nie X., 2002, Phys. Rev. Lett., 88, 066405, 10.1103/PhysRevLett.88.066405

Snure M., 2007, Appl. Phys. Lett., 91, 092123, 10.1063/1.2778755

Kresse G., 1994, Phys. Rev. B, 49, 14251, 10.1103/PhysRevB.49.14251

Kresse G., 1996, Phys. Rev. B, 54, 11169, 10.1103/PhysRevB.54.11169

Perdew J. P., 1996, Phys. Rev. Lett., 77, 3865, 10.1103/PhysRevLett.77.3865

Blöchl P. E., 1994, Phys. Rev. B, 50, 17953, 10.1103/PhysRevB.50.17953

Kresse G., 1999, Phys. Rev. B, 59, 1758, 10.1103/PhysRevB.59.1758

Dudarev S. L., 1998, Phys. Rev. B, 57, 1505, 10.1103/PhysRevB.57.1505

Heyd S., 2003, J. Chem. Phys., 118, 8207, 10.1063/1.1564060

Morgan B. J., 2009, e-J. Surf. Sci. Nanotechnol., 7, 395, 10.1380/ejssnt.2009.389

Raebiger H., 2007, Phys. Rev. B, 76, 045209, 10.1103/PhysRevB.76.045209

Scanlon D. O., 2009, Phys. Rev. B, 79, 035101, 10.1103/PhysRevB.79.035101

Arnold T., 2009, Phys. Rev. B, 79, 075102, 10.1103/PhysRevB.79.075102

Zhou G. C., 2008, Phys. B: Condens. Matter, 403, 2832, 10.1016/j.physb.2008.02.018

Morgan B. J., 2007, Surf. Sci., 601, 5034, 10.1016/j.susc.2007.08.025

Scanlon D. O., 2008, J. Phys. Chem. C, 112, 9903, 10.1021/jp711334f

Coquet R., 2005, Phys. Chem. Chem. Phys., 7, 3819, 10.1039/b511044k

Walsh A., 2008, J. Phys. Chem. C, 125, 12044, 10.1021/jp711566k

Morgan B. J., 2009, J. Mater. Chem., 19, 5175, 10.1039/b905028k

Nolan M., 2006, J. Chem. Phys., 125, 144701, 10.1063/1.2354468

Scanlon D. O., 2007, J. Phys. Chem. C, 111, 7971, 10.1021/jp070200y

Murnaghan F. D., 1944, Proc. Natl. Acad. Sci. U.S.A., 30, 244, 10.1073/pnas.30.9.244

Laubach S., 2007, Phys. Chem. Chem. Phys., 9, 2564, 10.1039/B612489E

Labat F., 2007, J. Chem. Phys., 126, 154703, 10.1063/1.2717168

Paier J., 2006, J. Chem. Phys., 124, 154709, 10.1063/1.2187006

Walsh A., 2008, Phys. Rev. Lett., 100, 256401, 10.1103/PhysRevLett.100.256401

Heyd J., 2004, J. Chem. Phys., 121, 1187, 10.1063/1.1760074

Heyd J., 2005, J. Chem. Phys., 123, 174101, 10.1063/1.2085170

Da Silva J. L. F., 2007, Phys. Rev. B, 75, 045121, 10.1103/PhysRevB.75.045121

Walsh A., 2009, Phys. Rev. B, 79, 073105, 10.1103/PhysRevB.79.073105

Chen S., 2009, Appl. Phys. Lett., 94, 041903, 10.1063/1.3074499

Gajdos M., 2006, Phys. Rev. B, 73, 045112, 10.1103/PhysRevB.73.045112

Adolph B., 2001, Phys. Rev. B, 63, 125108, 10.1103/PhysRevB.63.125108

Blöchl P. E., 1994, Phys. Rev. B, 49, 16223, 10.1103/PhysRevB.49.16223

Yu P. Y., 1999, Fundamentals of Semiconductors, 2

Ramos L. E., 2008, Phys. Rev. B, 78, 195423, 10.1103/PhysRevB.78.195423

Paier J., 2008, Phys. Rev. B, 78, 121201, 10.1103/PhysRevB.78.121201

Walsh A., 2009, Chem. Mater., 21, 547, 10.1021/cm802894z

Momma K., 2008, J. Appl. Crystallogr., 41, 653, 10.1107/S0021889808012016

Koehler B. U., 1986, Z. Kristallogr., 543, 73

Shimode M., 2000, J. Solid State Chem., 151, 16, 10.1006/jssc.1999.8603

Godinho, K. G.; Scanlon, D. O.; Watson, G. W.Unpublished.

Bradley C. J., 1972, Mathematical Theory of Symmetry in Solids

Paier J., 2009, Phys. Rev. B, 79, 115126, 10.1103/PhysRevB.79.115126

Segev D., 2005, Phys. Rev. B, 71, 125129, 10.1103/PhysRevB.71.125129

Ingram B. J., 2004, Chem. Mater., 16, 5616, 10.1021/cm048983c

Ingram B. J., 2004, Chem. Mater., 16, 5623, 10.1021/cm048982k

Shi L. J., 2008, J. Appl. Phys., 104, 073527, 10.1063/1.2991157

Walsh A., 2008, Phys. Rev. B, 78, 075211, 10.1103/PhysRevB.78.075211

Da Silva J. L. F., 2008, Phys. Rev. B, 78, 224111, 10.1103/PhysRevB.78.224111

Eibenstein U., 1997, J. Solid State Chem., 133, 21, 10.1006/jssc.1997.7310

Ingram B. J., 2001, Phys. Rev. B, 64, 155114, 10.1103/PhysRevB.64.155114

Benko F. A., 1987, J. Phys. Chem. Solids, 48, 431, 10.1016/0022-3697(87)90103-X

Nagarajan R., 2001, Int. J. Inorg. Mater., 3, 265, 10.1016/S1466-6049(01)00006-X