DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Temperature-driven band inversion in Pb 0.77 Sn 0.23 Se : Optical and Hall effect studies

Abstract

Optical and Hall-effect measurements have been performed on single crystals of Pb₀.₇₇Sn₀.₂₃Se, a IV-VI mixed chalcogenide. The temperature dependent (10–300 K) reflectance was measured over 40–7000 cm⁻¹ (5–870 meV) with an extension to 15,500 cm⁻¹ (1.92 eV) at room temperature. The reflectance was fit to the Drude-Lorentz model using a single Drude component and several Lorentz oscillators. The optical properties at the measured temperatures were estimated via Kramers-Kronig analysis as well as by the Drude-Lorentz fit. The carriers were p-type with the carrier density determined by Hall measurements. A signature of valence intraband transition is found in the low-energy optical spectra. It is found that the valence-conduction band transition energy as well as the free carrier effective mass reach minimum values at 100 K, suggesting temperature-driven band inversion in the material. Thus, density function theory calculation for the electronic band structure also make similar predictions.

Authors:
 [1];  [1];  [1];  [1];  [2];  [2];  [1];  [1];  [3];  [4]
  1. Univ. of Florida, Gainesville, FL (United States)
  2. Florida State Univ., Tallahassee, FL (United States)
  3. Brookhaven National Lab. (BNL), Upton, NY (United States)
  4. Ramapo College, Mahwah, NJ (United States)
Publication Date:
Research Org.:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1182520
Alternate Identifier(s):
OSTI ID: 1179976
Report Number(s):
BNL-107518-2015-JA
Journal ID: ISSN 1098-0121; PRBMDO; R&D Project: PO010; KC0201060
Grant/Contract Number:  
SC00112704; AC02-98CH10886
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Volume: 90; Journal Issue: 23; Journal ID: ISSN 1098-0121
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Anand, Naween, Buvaev, Sanal, Hebard, A. F., Tanner, D. B., Chen, Zhiguo, Li, Zhiqiang, Choudhary, Kamal, Sinnott, S. B., Gu, Genda, and Martin, C. Temperature-driven band inversion in Pb0.77Sn0.23Se: Optical and Hall effect studies. United States: N. p., 2014. Web. doi:10.1103/PhysRevB.90.235143.
Anand, Naween, Buvaev, Sanal, Hebard, A. F., Tanner, D. B., Chen, Zhiguo, Li, Zhiqiang, Choudhary, Kamal, Sinnott, S. B., Gu, Genda, & Martin, C. Temperature-driven band inversion in Pb0.77Sn0.23Se: Optical and Hall effect studies. United States. https://doi.org/10.1103/PhysRevB.90.235143
Anand, Naween, Buvaev, Sanal, Hebard, A. F., Tanner, D. B., Chen, Zhiguo, Li, Zhiqiang, Choudhary, Kamal, Sinnott, S. B., Gu, Genda, and Martin, C. Tue . "Temperature-driven band inversion in Pb0.77Sn0.23Se: Optical and Hall effect studies". United States. https://doi.org/10.1103/PhysRevB.90.235143. https://www.osti.gov/servlets/purl/1182520.
@article{osti_1182520,
title = {Temperature-driven band inversion in Pb0.77Sn0.23Se: Optical and Hall effect studies},
author = {Anand, Naween and Buvaev, Sanal and Hebard, A. F. and Tanner, D. B. and Chen, Zhiguo and Li, Zhiqiang and Choudhary, Kamal and Sinnott, S. B. and Gu, Genda and Martin, C.},
abstractNote = {Optical and Hall-effect measurements have been performed on single crystals of Pb₀.₇₇Sn₀.₂₃Se, a IV-VI mixed chalcogenide. The temperature dependent (10–300 K) reflectance was measured over 40–7000 cm⁻¹ (5–870 meV) with an extension to 15,500 cm⁻¹ (1.92 eV) at room temperature. The reflectance was fit to the Drude-Lorentz model using a single Drude component and several Lorentz oscillators. The optical properties at the measured temperatures were estimated via Kramers-Kronig analysis as well as by the Drude-Lorentz fit. The carriers were p-type with the carrier density determined by Hall measurements. A signature of valence intraband transition is found in the low-energy optical spectra. It is found that the valence-conduction band transition energy as well as the free carrier effective mass reach minimum values at 100 K, suggesting temperature-driven band inversion in the material. Thus, density function theory calculation for the electronic band structure also make similar predictions.},
doi = {10.1103/PhysRevB.90.235143},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 23,
volume = 90,
place = {United States},
year = {Tue Dec 23 00:00:00 EST 2014},
month = {Tue Dec 23 00:00:00 EST 2014}
}

Journal Article:

Citation Metrics:
Cited by: 9 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Optical investigation of the thermoelectric topological crystalline insulator Pb 0.77 Sn 0.23 Se
journal, December 2014


Semiconductors: Data Handbook
book, January 2004


Band Structure and Laser Action in Pb x Sn 1 x Te
journal, June 1966

  • Dimmock, J. O.; Melngailis, I.; Strauss, A. J.
  • Physical Review Letters, Vol. 16, Issue 26, p. 1193-1196
  • DOI: 10.1103/PhysRevLett.16.1193

Topological Crystalline Insulators
journal, March 2011


Topological crystalline insulators in the SnTe material class
journal, January 2012

  • Hsieh, Timothy H.; Lin, Hsin; Liu, Junwei
  • Nature Communications, Vol. 3, Article No. 982
  • DOI: 10.1038/ncomms1969

Bulk Signatures of Pressure-Induced Band Inversion and Topological Phase Transitions in Pb 1 x Sn x Se
journal, August 2014


Optical Properties and Band Structure of Group IV-VI and Group V Materials
journal, March 1964


Electronic Band Structure and Optical Properties of PbTe, PbSe, and PbS
journal, August 1973


Electro-Optic Measurements of PbS, PbSe, and PbTe
journal, September 1968


Full-potential optical calculations of lead chalcogenides
journal, January 1998


Narrow Gap Semiconductors
book, January 1974


Preparation and properties of mixed crystals SnS(1−x)Sex
journal, March 1962


Band Structure of SnTe Studied by Photoemission Spectroscopy
journal, August 2010


Influence of Band Inversion upon the Electrical Properties of Pb 0.77 Sn 0.23 Se
journal, June 1971


Inversion of Conduction and Valence Bands in Pb 1 x Sn x Se Alloys
journal, May 1967


Topological crystalline insulator states in Pb1−xSnxSe
journal, September 2012

  • Dziawa, P.; Kowalski, B. J.; Dybko, K.
  • Nature Materials, Vol. 11, Issue 12
  • DOI: 10.1038/nmat3449

Spin-polarized (001) surface states of the topological crystalline insulator Pb 0.73 Sn 0.27 Se
journal, March 2013


Investigation of band inversion in (Pb,Sn)Te alloys using ab initio calculations
journal, January 2008


SnSe single crystals: Sublimation growth, deviation from stoichiometry and electrical properties
journal, November 1977

  • Maier, H.; Daniel, D. R.
  • Journal of Electronic Materials, Vol. 6, Issue 6
  • DOI: 10.1007/BF02660344

Optical and electrical characterizations of SnSe, SnS2 and SnSe2 single crystals
journal, October 1992


Deviations from Stoichiometry and Lattice Defects in Iv-Vi Compounds and Their Alloys. General Features and Experimental Methods
journal, November 1968


Electrical Properties of Stannous Selenide
journal, March 1959

  • Asanabe, Sizuo
  • Journal of the Physical Society of Japan, Vol. 14, Issue 3
  • DOI: 10.1143/JPSJ.14.281

Occurrence of Natural pn Junctions in Lead Selenide
journal, February 1954

  • Goldberg, Arthur E.; Mitchell, George R.
  • The Journal of Chemical Physics, Vol. 22, Issue 2
  • DOI: 10.1063/1.1740034

Anomalous quantum confinement of the longitudinal optical phonon mode in PbSe quantum dots
journal, September 2013


Interband and Intraband Optical Studies of PbSe Colloidal Quantum Dots
journal, October 2002

  • Wehrenberg, Brian L.; Wang, Congjun; Guyot-Sionnest, Philippe
  • The Journal of Physical Chemistry B, Vol. 106, Issue 41
  • DOI: 10.1021/jp021187e

X-Ray Interactions: Photoabsorption, Scattering, Transmission, and Reflection at E = 50-30,000 eV, Z = 1-92
journal, July 1993

  • Henke, B. L.; Gullikson, E. M.; Davis, J. C.
  • Atomic Data and Nuclear Data Tables, Vol. 54, Issue 2, p. 181-342
  • DOI: 10.1006/adnd.1993.1013

Band Edge Structure of PbS, PbSe, and PbTe
journal, August 1964


Effects of the narrow band gap on the properties of InN
journal, November 2002


Determination of the effective mass of GaN from infrared reflectivity and Hall effect
journal, February 1996

  • Perlin, P.; Litwin‐Staszewska, E.; Suchanek, B.
  • Applied Physics Letters, Vol. 68, Issue 8
  • DOI: 10.1063/1.115730

First-principles calculation of p -type alloy scattering in Si 1 x Ge x
journal, April 2007


Ab initiomolecular dynamics for liquid metals
journal, January 1993


Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
journal, May 1994


Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996


Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996


Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Calculation of the lattice constant of solids with semilocal functionals
journal, February 2009


Optical Processes in Semiconductors
journal, January 1972

  • Pankove, Jacques I.; Kiewit, David A.
  • Journal of The Electrochemical Society, Vol. 119, Issue 5
  • DOI: 10.1149/1.2404256

The valence band structure of the III–V compounds
journal, October 1962


Anomalous Optical Absorption Limit in InSb
journal, February 1954


The Interpretation of the Properties of Indium Antimonide
journal, October 1954


Optical Properties of Lead‐Salt and III–V Semiconductors
journal, October 1961


Optical band gap and the Burstein–Moss effect in iodine doped PbTe using diffuse reflectance infrared Fourier transform spectroscopy
journal, July 2013


Infrared Absorption in P -Type Germanium
journal, September 1953


Infrared Absorption and Valence Band in Indium Antimonide
journal, July 1960


Works referencing / citing this record: