journal article Jan 01, 2019

Effects of the number of layers on the vibrational, electronic and optical properties of alpha lead oxide

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Abstract
We have investigated the effects of the number of layers on the structure, vibrational, electronic and optical properties of α-PbO using first principles calculations. Our calculations have indicated that ultrathin films of α-PbO (such as 3 nm thickness) could be excellent candidates for solar cells.
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References
59
[1]
Electric Field Effect in Atomically Thin Carbon Films

K. S. Novoselov, A. K. Geim, S. V. Morozov et al.

Science 2004 10.1126/science.1102896
[2]
Tu Phys. Rev. B: Condens. Matter Mater. Phys. (2006) 10.1103/physrevb.74.035434
[3]
Tusche Phys. Rev. Lett. (2007) 10.1103/physrevlett.99.026102
[4]
Tang ACS Appl. Mater. Interfaces (2010) 10.1021/am100467j
[5]
Wang Appl. Phys. Lett. (2010) 10.1063/1.3442506
[6]
Chen J. Chem. Phys. (2010) 10.1063/1.3442908
[7]
Huang J. Phys. Chem. C (2010) 10.1021/jp102388g
[8]
Rao Nanotechnology (2016) 10.1088/0957-4484/27/1/015502
[9]
Zhuang Appl. Phys. Lett. (2013) 10.1063/1.4831972
[10]
Zheng Phys. Rev. B: Condens. Matter Mater. Phys. (2015) 10.1103/physrevb.92.115307
[11]
Miro Chem. Soc. Rev. (2014) 10.1039/c4cs00102h
[12]
Shayeganfar Phys. Rev. B (2017) 10.1103/physrevb.95.144109
[13]
Demirci Phys. Rev. B (2017) 10.1103/physrevb.95.115409
[14]
Teng Nanoscale (2017) 10.1039/c6nr09454f
[15]
Lebègue Phys. Rev. X (2013)
[16]
Khadeer Pasha J. Optoelectron. Adv. Mater. (2012)
[17]
Keezer J. Appl. Phys. (1968) 10.1063/1.1656489
[18]
Thangaraju Semicond. Sci. Technol. (2000) 10.1088/0268-1242/15/6/309
[19]
Perry Appl. Phys. A: Mater. Sci. Process. (2007) 10.1007/s00339-007-4073-y
[20]
Kumar Small (2018) 10.1002/smll.201703346
[21]
Arguelles J. Phys.: Condens. Matter (2015)
[22]
Berashevich EPL (2013) 10.1209/0295-5075/104/37008
[23]
Berashevich J. Phys.: Condens. Matter (2013)
[24]
Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof

Physical Review Letters 1996 10.1103/physrevlett.77.3865
[25]
van Schilfgaarde Phys. Rev. Lett. (2006) 10.1103/physrevlett.96.226402
[26]
Deguchi Jpn. J. Appl. Phys. (2016) 10.7567/jjap.55.051201
[27]
Chantis Phys. Rev. Lett. (2006) 10.1103/physrevlett.96.086405
[28]
Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

G. Kresse, J. Furthmüller

Physical Review B 1996 10.1103/physrevb.54.11169
[29]
Kotani Phys. Rev. B: Condens. Matter Mater. Phys. (2010) 10.1103/physrevb.81.125117
[30]
tkotani/ecalj. https://github.com/tkotani/ecalj/
[31]
Special points for Brillouin-zone integrations

Hendrik J. Monkhorst, James D. Pack

Physical Review B 1976 10.1103/physrevb.13.5188
[32]
Togo Scr. Mater. (2015) 10.1016/j.scriptamat.2015.07.021
[33]
Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

Stefan Grimme

Journal of Computational Chemistry 2006 10.1002/jcc.20495
[34]
Majima Appl. Phys. Express (2015) 10.7567/apex.8.074001
[35]
Moreau Phys. Rev. B: Condens. Matter Mater. Phys. (1989) 10.1103/physrevb.39.10296
[36]
Semeniuk J. Mater. Sci. (2017) 10.1007/s10853-017-0998-5
[37]
Baleva J. Solid State Chem. (1994) 10.1006/jssc.1994.1132
[38]
Cortez-Valadez Physica E (2013) 10.1016/j.physe.2013.05.006
[39]
Yousefi Lat. Am. Appl. Res. (2014)
[40]
Hedoux J. Phys.: Condens. Matter (1995)
[41]
Wang Nat. Commun. (2015)
[42]
Jing Nano Lett. (2017) 10.1021/acs.nanolett.6b05143
[43]
Zhao J. Am. Chem. Soc. (2014) 10.1021/ja5065125
[44]
Jiao J. Phys. Chem. Lett. (2015) 10.1021/acs.jpclett.5b01136
[45]
Hybrid functionals based on a screened Coulomb potential

Jochen Heyd, Gustavo E. Scuseria, Matthias Ernzerhof

The Journal of Chemical Physics 2003 10.1063/1.1564060
[46]
Terpstra Phys. Rev. B: Condens. Matter Mater. Phys. (1995) 10.1103/physrevb.52.11690
[47]
Singh Appl. Phys. Lett. (2014) 10.1063/1.4891230
[48]
Berashevich EPL (2012) 10.1209/0295-5075/99/47005
[49]
C. Kittel , Introduction to Solid State Physics , Wiley , New York , 1996
[50]
Linear optical properties in the projector-augmented wave methodology

M. Gajdoš, K. Hummer, G. Kresse et al.

Physical Review B 2006 10.1103/physrevb.73.045112

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Details
Published
Jan 01, 2019
Vol/Issue
21(7)
Pages
3868-3876
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Cite This Article
Ali Bakhtatou, Fatih Ersan (2019). Effects of the number of layers on the vibrational, electronic and optical properties of alpha lead oxide. Physical Chemistry Chemical Physics, 21(7), 3868-3876. https://doi.org/10.1039/c8cp07327a