Band structure modulation of ZnSe/ZnTe nanowires under strain

Theoretical or Mathematical, Experimental/ ab initio calculations; band structure; II-VI semiconductors; localised states; nanowires; semiconductor quantum wires; wave functions; wide band gap semiconductors; zinc compounds/ band structure modulation; ZnSe/ZnTe nanowires; first principles calculations; structural properties; electronic properties; core/shell nanowires; [111] direction; hexagonal cross sections; quantum confinement; uniaxial strain; direct-to-indirect band transition; wave function analysis; electron states; ZnSe-ZnTe/ A6146 Structure of solid clusters, nanoparticles, nanotubes and nanostructured materials A6865 Low-dimensional structures: growth, structure and nonelectronic properties A7320D Electron states in low-dimensional structures A7360L Electrical properties of II-VI and III-V semiconductors (thin films/low-dimensional structures) A7320A Surface states, band structure, electron density of states A7125T Electronic structure of crystalline semiconductor compounds and insulators A7115A Ab initio calculations (condensed matter electronic structure) A7155J Localization in disordered structures B2520D II-VI and III-V semiconductors B2530C Semiconductor superlattices, quantum wells and related structures/ ZnSeZnTe/ss Se/ss Te/ss Zn/ss

Abstract :

[en] First-principles calculations have been used to investigate the structural and electronic properties of unpassivated ZnSe, ZnTe and ZnX/ZnY [X = Se(Te),Y = Te(Se)] core/shell nanowires oriented along the [111] direction with hexagonal cross sections. The effects of quantum confinement and strain on the electronic properties of the nanowires have been explored for different diameters and core/shell thicknesses. We observe that strong band structure modulation is achievable through uniaxial strain. While for ZnTe nanowires, compression induces a direct-to-indirect band transition for diameters larger than 1.4 nm, there is no sign for a similar transition either for single component ZnSe or core/shell nanowires. The wave function analysis reveals a strong preference for localizing the electron states inside ZnSe rich regions.

Disciplines :

Physics

Author, co-author :

Pekoz, Rengin

Raty, Jean-Yves ; Université de Liège - ULiège > Département de physique > Physique de la matière condensée

Language :

English

Title :

Band structure modulation of ZnSe/ZnTe nanowires under strain

Publication date :

2011

Journal title :

Physical Review. B, Condensed Matter and Materials Physics

ISSN :

1098-0121

eISSN :

1550-235X

Publisher :

American Physical Society, Woodbury, United States - New York

Volume :

Issue :

Pages :

165444 (8 pp.)-165444 (8 pp.)165444 (8 pp.)

Peer reviewed :

Peer Reviewed verified by ORBi

Additional URL :

http://link.aps.org/doi/10.1103/PhysRevB.84.165444

Available on ORBi :

since 19 January 2012

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Bibliography

Hasegawa, H., Fujikura, H., Okada, H., (1999) MRS Bull., 24, p. 25
Leschkies, K.S., Divakar, R., Basu, J., Enache-Pommer, E., Boercker, J.E., Carter, C.B., Kortshagen, U.R., Aydil, E.S., Photosensitization of ZnO nanowires with CdSe quantum dots for photovoltaic devices (2007) Nano Letters, 7 (6), pp. 1793-1798. , DOI 10.1021/nl070430o
Lin, W., Yang, B.X., Guo, S.P., Elmoumni, A., Fernandez, F., Tamargo, M.C., (1999) Appl. Phys. Lett., 75, p. 2608. , APPLAB 0003-6951 10.1063/1.125093
Li, Q., Gong, X., Wang, C., Wang, J., Ip, K., Hark, S., (2004) Adv. Mater., 16, p. 1436. , ADVMEW 0935-9648 10.1002/adma.200306648
Wang, J., Hutchings, D.C., Miller, A., Van Stryland, E.W., Welford, K.R., Muirhead, I.T., Lewis, K.L., (1993) J. Appl. Phys., 73, p. 4746. , JAPIAU 0021-8979 10.1063/1.353838
Haase, M.A., Qiu, J., Depuydt, J.M., Cheng, H., (1991) Appl. Phys. Lett., 59, p. 1272. , APPLAB 0003-6951 10.1063/1.105472
Jeon, H., Ding, J., Patterson, W., Nurmikko, A.V., (1991) Appl. Phys. Lett., 59, p. 3619. , APPLAB 0003-6951 10.1063/1.105625
Chang, J.H., Takai, T., Koo, B.H., Song, J.S., Handa, T., Yao, T., (2001) Appl. Phys. Lett., 79, p. 785. , APPLAB 0003-6951 10.1063/1.1390481
Pal, A.K., Mondal, A., Chaudhuri, S., (1990) Vacuum, 41, p. 1460. , VACUAV 0042-207X 10.1016/0042-207X(90)93990-Z
Chan, S.K., Cai, Y., Wang, N., Sou, I.K., Growth temperature dependence of MBE-grown ZnSe Nanowires (2007) Journal of Crystal Growth, 301-302 (SPEC. ISS.), pp. 866-870. , DOI 10.1016/j.jcrysgro.2006.11.091, PII S0022024806013698
Colli, A., Hofmann, S., Ferrari, A.C., Ducati, C., Martelli, F., Rubini, S., Cabrini, S., Robertson, J., Low-temperature synthesis of ZnSe nanowires and nanosaws by catalyst-assisted molecular-beam epitaxy (2005) Applied Physics Letters, 86 (15), pp. 1-3. , DOI 10.1063/1.1897053, 153103
Duan, X., Lieber, C.M., General synthesis of compound semiconductor nanowires (2000) Advanced Materials, 12 (4), pp. 298-302. , DOI 10.1002/(SICI)1521-4095(200002)12:4<298::AID-ADMA298>3.0.CO
2-Y
Cai, Y., Chan, S.K., Sou, I.K., Chan, Y.F., Su, S., Wang, N., (2006) Adv. Mater., 18, p. 109. , ADVMEW 0935-9648 10.1002/adma.200500822
Janik, E., Dluzewski, P., Kret, S., Presz, A., Kirmse, H., Neumann, W., Zaleszczyk, W., Wojtowicz, T., Catalytic growth of ZnTe nanowires by molecular beam epitaxy: Structural studies (2007) Nanotechnology, 18 (47), p. 475606. , DOI 10.1088/0957-4484/18/47/475606, PII S0957448407564391
Gandhi, T., Raja, K.S., Misra, M., (2009) Thin Solid Films, 517, p. 4527. , THSFAP 0040-6090 10.1016/j.tsf.2008.12.046
Yong, K.-T., Sahoo, Y., Zeng, H., Swihart, M.T., Minter, J.R., Prasad, P.N., Formation of ZnTe nanowires by oriented attachment (2007) Chemistry of Materials, 19 (17), pp. 4108-4110. , DOI 10.1021/cm0709774
Meng, Q., Jiang, C., Mao, S.X., (2008) J. Cryst. Growth, 310, p. 4481. , JCRGAE 0022-0248 10.1016/j.jcrysgro.2008.07.111
Li, L., Yang, Y., Huang, X., Li, G., Zhang, L., Fabrication and characterization of single-crystalline ZnTe nanowire arrays (2005) Journal of Physical Chemistry B, 109 (25), pp. 12394-12398. , DOI 10.1021/jp0511855
Dong, A., Wang, F., Daulton, T.L., Buhro, W.E., Solution-liquid-solid (SLS) growth of ZnSe-ZnTe quantum wires having axial heterojunctions (2007) Nano Letters, 7 (5), pp. 1308-1313. , DOI 10.1021/nl070293v
Bang, J., Park, J., Lee, J.H., Won, N., Nam, J., Lim, J., Chang, B.Y., Kim, S., (2010) Chem. Mater., 22, p. 233. , CMATEX 0897-4756 10.1021/cm9027995
Kohn, W., Sham, L.J., (1965) Phys. Rev., 140, p. 1133. , PHRVAO 0031-899X 10.1103/PhysRev.140.A1133
Kresse, G., Hafner, J., (1993) Phys. Rev. B, 47, p. 558. , PRBMDO 1098-0121 10.1103/PhysRevB.47.558
Perdew, J.P., Wang, Y., (1992) Phys. Rev. B, 45, p. 13244. , PRBMDO 1098-0121 10.1103/PhysRevB.45.13244
Perdew, J.P., Chevary, J.A., Vosko, S.H., Jackson, K.A., Pederson, M.R., Singh, D.J., Fiolhais, C., (1992) Phys. Rev. B, 46, p. 6671. , PRBMDO 1098-0121 10.1103/PhysRevB.46.6671
Blochl, P.E., (1994) Phys. Rev. B, 50, p. 17953. , PRBMDO 1098-0121 10.1103/PhysRevB.50.17953
(2001) Inorganic Crystal Structure Database, , Gmelin Institut, Karlsruhe
Weast, R.C., Lide, D.R., Astle, M.J., Beyer, W.H., (1990) CRC Handbook of Chemistry and Physics, , eds., Chemical Rubber, Boca Raton, FL
Zh. Karazhanov, S., Ravindran, P., Kjekshus, A., Fjellvag, H., Svensson, B.G., (2007) Phys. Rev. B, 75, p. 155104. , PRBMDO 1098-0121 10.1103/PhysRevB.75.155104
Luo, W., Ismail-Beigi, S., Cohen, M.L., Louie, S.G., (2002) Phys. Rev. B, 66, p. 195215. , PRBMDO 1098-0121 10.1103/PhysRevB.66.195215
Passler, R., Griebl, E., Riepl, H., Lautner, G., Bauer, S., Preis, H., Gebhardt, W., Ves, S., (1999) J. Appl. Phys., 86, p. 4403. , JAPIAU 0021-8979 10.1063/1.371378
Kawakami, Y., Funato, M., Fujita, S., Fujita, S., Yamada, Y., Masumoto, Y., (1994) Phys. Rev. B, 50, p. 14655. , PRBMDO 1098-0121 10.1103/PhysRevB.50.14655
Sun, J., Wang, L.-W., Buhro, W.E., Synthesis of cadmium telluride quantum wires and the similarity of their effective band gaps to those of equidiameter cadmium telluride quantum dots (2008) Journal of the American Chemical Society, 130 (25), pp. 7997-8005. , DOI 10.1021/ja800837v
Chen, H., Shi, D., Qi, J., Jia, J., Wang, B., (2009) Phys. Lett. A, 373, p. 371. , PYLAAG 0375-9601 10.1016/j.physleta.2008.11.060
Sadowski, T., Ramprasad, R., (2010) J. Mater. Sci., 45, p. 5463. , JMTSAS 0022-2461 10.1007/s10853-010-4599-9
Li, L., Zhao, M., Zhang, X., Zhu, Z., Li, F., Li, J., Song, C., Xia, Y., (2008) J. Phys. Chem. C, 112, p. 3509. , JMTSAS 1932-7447 10.1021/jp0770559
Galicka, M., Bukala, M., Buczko, R., Kacman, P., (2008) J. Phys. Condens. Matter, 20, p. 454226. , JCOMEL 0953-8984 10.1088/0953-8984/20/45/454226
Zhao, M., Xia, Y., Liu, X., Tan, Z., Huang, B., Song, C., Mei, L., First-principles calculations of AlN nanowires and nanotubes: Atomic structures, energetics, and surface states (2006) Journal of Physical Chemistry B, 110 (17), pp. 8764-8768. , DOI 10.1021/jp056755f
Ertekin, E., Greaney, P.A., Chrzan, D.C., Sands, T.D., Equilibrium limits of coherency in strained nanowire heterostructures (2005) Journal of Applied Physics, 97 (11), pp. 1-10. , DOI 10.1063/1.1903106, 114325
Guo, Y.N., Zou, J., Paladugu, M., Wang, H., Gao, Q., Tan, H.H., Jagadish, C., Structural characteristics of GaSb/GaAs nanowire heterostructures grown by metal-organic chemical vapor deposition (2006) Applied Physics Letters, 89 (23), p. 231917. , DOI 10.1063/1.2402234