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SHIFT OF BAND GAP FROM DIRECT TO INDIRECT AND OPTICAL RESPONSE OF LiF UNDER PRESSURE

A. SAJID

Department of Physics, GC University Faisalabad, Allama Iqbal Road, 38000, Faisalabad, Pakistan

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G. MURTAZA

Department of Physics, Islamia College University, Peshawar, KPK, Pakistan

Corresponding author.

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, and

A. H. RESHAK

Institute of Complex Systems, FFPW, CENAKVA, University of South Bohemia in CB, Nove Hrady 37333, Czech Republic

School of Material Engineering, Malaysia University of Perlis, P. O. Box 77, d/a Pejabat Pos Besar, 01007 Kangar, Perlis, Malaysia

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https://doi.org/10.1142/S0217984913500619Cited by:17 (Source: Crossref)

Abstract

We hereby are reporting the transition pressure at which lithium fluoride (LiF) compound transforms from direct band gap to indirect band gap insulator on the basis of FP-LAPW calculations. The fundamental band gap of LiF compound suffers direct to indirect transition at a pressure of 70 GPa. The study of the pressure effect on the optical properties e.g. dielectric function, reflectivity, refractive index and optical conductivity of LiF in the pressure between 0–100 GPa, shows that this pressure range is very critical for LiF compound as there are significant changes in the optical properties of this compound.

Keywords:

PACS: 78.20.-e

References

R. Boehleret al., Phys. Rev. Lett. 78, 4589 (1998), DOI: 10.1103/PhysRevLett.78.4589. Web of Science, ADS, Google Scholar
J. S. Wise and L. N. Chhabildas, Shock Wave in Condensed Matter, ed. Y. M. Gupta (Plenum Publishing Corp., New York, 1986) pp. 441–454. Google Scholar
M. D. Furnish, L. C. Chhabildas and W. D. Reinhart, Int. J. Impact Eng. 23, 261 (1999), DOI: 10.1016/S0734-743X(99)00078-0. Web of Science, Google Scholar
G. Huseret al., Phys. Plasmas 10, 61 (2004). Google Scholar
D. E. Fratanduonoet al., J. Appl. Phys. 109, 123521 (2011), DOI: 10.1063/1.3599884. Web of Science, ADS, Google Scholar
Z.-H. Sun, J. Dong and Y.-W. Xia, Physica B 406, 3660 (2011), DOI: 10.1016/j.physb.2011.06.066. Web of Science, ADS, Google Scholar
B. Björn, K. Peter and J. Pollmann, Phys. Rev. B 78, 125111 (2008). Google Scholar
N. P. Wanget al., Phys. Rev. B 67, 115111 (2003), DOI: 10.1103/PhysRevB.67.115111. Web of Science, ADS, Google Scholar
J. Clerouinet al., Phys. Rev. B 72, 155122 (2005). Web of Science, ADS, Google Scholar
E. L. Shirleyet al., Phys. Rev. B 53, 10296 (1996), DOI: 10.1103/PhysRevB.53.10296. Web of Science, Google Scholar
D. G. Hickset al., Phys. Rev. Lett. 91, 035502 (2003), DOI: 10.1103/PhysRevLett.91.035502. Web of Science, Google Scholar
S. B. Kormer, Sov. Phys. JETP 20, 811 (1965). Web of Science, Google Scholar
Z. Wu and R. E. Cohen, Phys. Rev. B 73, 235116 (2006), DOI: 10.1103/PhysRevB.73.235116. Web of Science, ADS, Google Scholar
F. Tran and P. Blaha, Phys. Rev. Lett. 102, 226401 (2009), DOI: 10.1103/PhysRevLett.102.226401. Web of Science, ADS, Google Scholar
P. Blaha et al. , An Augmented Plane Wave Plus Local Orbital Program for Calculating the Crystal Properties , ed. K. Schwarz ( Vienna University of Technology , Austria , 2001 ) . Google Scholar
W. Kohn and L. J. Sham, Phys. Rev. A 140, A1133 (1965). Web of Science, Google Scholar
J. L. Erskine and E. A. Stern, Phys. Rev. Lett. 30, 1329 (1973), DOI: 10.1103/PhysRevLett.30.1329. Web of Science, ADS, Google Scholar
W. Sangthonget al., J. Mater. Chem. 18, 5871 (2008), DOI: 10.1039/b809129c. Web of Science, Google Scholar
M. Causa and A. Zupan, Chem. Phys. Lett. 220, 145 (1994). Web of Science, ADS, Google Scholar
J. Yamashita and S. Asano, J. Phys. Soc. Jpn. 52, 3506 (1983), DOI: 10.1143/JPSJ.52.3506. ADS, Google Scholar
M. Piacentini, Solid State Commun. 17, 697 (1975), DOI: 10.1016/0038-1098(75)90388-9. Web of Science, ADS, Google Scholar
J. C. Slater and W. Shockley, Phys. Rev. 50, 705 (1936), DOI: 10.1103/PhysRev.50.705. Web of Science, ADS, Google Scholar
M. J. Van Settenet al., Phys. Rev. B 75, 035204 (2007), DOI: 10.1103/PhysRevB.75.035204. Web of Science, Google Scholar
C. Ambrosch-Draxl and J. Sofo, Comp. Phys. Commun. 175, 1 (2006), DOI: 10.1016/j.cpc.2006.03.005. Web of Science, ADS, Google Scholar
W. R. Hunter, J. F. Osantowski and G. Hass, Appl. Opt. 10, 3540 (1971). Google Scholar
H. Pick, Eigenshaften der Materie in ihren Aggregatzuständen. Optische Konstanten, American Institute of Physics Handbook, 3rd edn. (McGraw-Hill, New York, 1972); eds. K.-H. Hellwege and A. M. Hellewege, Landölt-Bornstein, New Series, Group II, Vol. 6, Chap. 8 (Springer-Verlag, Berlin, 1962) . Google Scholar
N. M. Balzaretti and J. A. H. Da Jornada, J. Phys. Chem. Solids 51, 179 (1996). Google Scholar