Lattice dynamics in Bi2Te3 and Sb2Te3: Te and Sb density of phonon states

[en] The lattice dynamics in Bi2Te3 and Sb2Te3 were investigated both microscopically and macroscopically using Sb-121 and Te-125 nuclear inelastic scattering, x-ray diffraction, and heat capacity measurements. In combination with earlier inelastic neutron scattering data, the element-specific density of phonon states was obtained for both compounds and phonon polarization analysis was carried out for Bi2Te3. A prominent peak in the Te specific density of phonon states at 13 meV, that involves mainly in-plane vibrations, is mostly unaffected upon substitution of Sb with Bi revealing vibrations with essentially Te character. A significant softening is observed for the density of vibrational states of Bi with respect to Sb, consistently with the mass homology relation in the long-wavelength limit. In order to explain the energy mismatch in the optical phonon region, a similar to 20% force constant softening of the Sb-Te bond with respect to the Bi-Te bond is required. The reduced average speed of sound at 20 K in Bi2Te3, 1.75(1) km/s, compared to Sb2Te3, 1.85(4) km/s, is not only related to the larger mass density but also to a larger Debye level. The observed low lattice thermal conductivity at 295 K, 2.4 Wm(-1)K(-1) for Sb2Te3 and 1.6 Wm(-1)K(-1) for Bi2Te3, cannot be explained by anharmonicity alone given the rather modest Gruneisen parameters, 1.7(1) for Sb2Te3 and 1.5(1) for Bi2Te3, without accounting for the reduced speed of sound and more importantly the low acoustic cutoff energy.

Disciplines :

Physics

Author, co-author :

Bessas, D.; Forschungszentrum Julich GmbH, JARA FIT, JCNS, D-52425 Julich, Germany.

Sergueev, I.; Forschungszentrum Julich GmbH, JARA FIT, JCNS, D-52425 Julich, Germany.

Wille, H.-C.; DESY, D-22607 Hamburg, Germany.

Persson, J.; Forschungszentrum Julich GmbH, JARA FIT, JCNS, D-52425 Julich, Germany.

Ebling, D.; Fraunhofer Inst Phys Messtech, D-79110 Freiburg, Germany.

Hermann, Raphael ; Université de Liège - ULiège

Language :

English

Title :

Lattice dynamics in Bi2Te3 and Sb2Te3: Te and Sb density of phonon states

Publication date :

2012

Journal title :

Physical Review. B, Condensed Matter and Materials Physics

ISSN :

1098-0121

eISSN :

1550-235X

Publisher :

Amer Physical Soc, College Pk, United States - Maryland

Volume :

Issue :

Pages :

224301-9

Peer reviewed :

Peer Reviewed verified by ORBi

Funders :

DFG - Deutsche Forschungsgemeinschaft [DE]

Commentary :

The DFG priority program SPP1386 "Nanostructured Thermoelectrics" is acknowledged for the financial support of this study. R. H. acknowledges support from the HelmholtzUniversity Young Investigator Group "Lattice Dynamics in Emerging Functional Materials." RH and DB acknowledge the European Synchrotron Radiation Facility for provision of synchrotron radiation beam time and the helpful discussions with Dr. A. Chumakov and Dr. R. Ruffer during data acquisition at ID22N. Also the Advanced Photon Source for provision of synchrotron radiation beam time and the help of Dr. D. Robinson during data acquisition at 6- ID-D is acknowledged. We thank Dr T. Caillat and Dr. P. Fleurial for provision of the Bi2Te3 single crystal. We are grateful to Mr. M. Winkler and Dr. B. Klobes for helpful discussions and comments on the manuscript, respectively.

Available on ORBi :

since 17 February 2014

Statistics

Number of views

123 (0 by ULiège)

Number of downloads

0 (0 by ULiège)

More statistics

Scopus citations^®

113

Scopus citations^®
without self-citations

102

OpenCitations

Bibliography

R. J. Mehta, Y. Zhang, C. Karthik, B. Singh, R. W. Siegel, T. Borca-Tasciuc, and G. Ramanath, Nat. Mater. 1476-1122 10.1038/nmat3213 11, 233 (2012).
J. Liu, S. Liu, and J. Wei, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.3530428 97, 261903 (2010).
N. Han, S. I. Kim, J.-D. Yang, K. Lee, H. Sohn, H.-M. So, C. W. Ahn, and K.-H. Yoo, Adv. Mater. ADVMEW 0935-9648 10.1002/adma.201004746 23, 1871 (2011).
M. H. R. Lankhorst, B. W. S. M. M. Ketelaars, and R. A. M. Wolters, Nat. Mater. 1476-1122 10.1038/nmat1350 4, 347 (2005). (Pubitemid 40450216)
H. Zhang, C.-X. Liu, X.-L. Qi, X. Dai, Z. Fang, and S.-C. Zhang, Nat. Phys. 1745-2473 10.1038/nphys1270 5, 438 (2009).
B.-T. Wang and P. Zhang, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.3689759 100, 082109 (2012).
Y. Xia, D. Qian, D. Hsieh, L. Wray, A. Pal, H. Lin, A. Bansil, D. Grauer, Y. Hor, R. J. Cava, Nat. Phys. 1745-2473 10.1038/nphys1274 5, 398 (2009).
Y. L. Chen, J. G. Analytis, J.-H. Chu, Z. K. Liu, S.-K. Mo, X. L. Qi, H. J. Zhang, D. H. Lu, X. Dai, Z. Fang, Science SCIEAS 0036-8075 10.1126/science.1173034 325, 178 (2009).
R. Vilaplana, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.104112 84, 104112 (2011).
J. Drabble and C. Goodman, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/0022-3697(58)90139-2 5, 142 (1958).
R. T. Delves, A. E. Bowley, D. W. Hazelden, and H. J. Goldsmid, Proc. Phys. Soc. London PPSOAU 0370-1328 10.1088/0370-1328/78/5/329 78, 838 (1961).
P. Fornasini, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/13/34/324 13, 7859 (2001). (Pubitemid 32828779)
A. S. Pine and G. Dresselhaus, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.4.356 4, 356 (1971).
M. Christensen, F. Juranyi, and B. B. Iversen, Physica B PHYBE3 0921-4526 10.1016/j.physb.2006.05.232 385-386, 505 (2006). (Pubitemid 44809757)
E. Burkel, Rep. Prog. Phys. RPPHAG 0034-4885 10.1088/0034-4885/63/2/203 63, 171 (2000).
A. Hashibon and C. Elsässer, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.144117 84, 144117 (2011).
A. Chumakov and R. Rüffer, Hyperfine Interact. HYINDN 0304-3843 10.1023/A:1012659229533 113, 59 (1998).
H.-C. Wille, Y. V. Shvyd'ko, E. E. Alp, H. D. Rüter, O. Leupold, I. Sergueev, R. Rüffer, A. Barla, and J. P. Sanchez, Europhys. Lett. EULEEJ 0295-5075 10.1209/epl/i2005-10494-2 74, 170 (2006). (Pubitemid 43539246)
H.-C. Wille, R. P. Hermann, I. Sergueev, U. Pelzer, A. Möchel, T. Claudio, J. Peron, R. Rüffer, A. Said, and Y. V. Shvyd'ko, Europhys. Lett. EULEEJ 0295-5075 10.1209/0295-5075/91/62001 91, 62001 (2010).
H. Rauh, R. Geick, H. Kohler, N. Nucker, and N. Lehner, J. Phys. C JPSOAW 0022-3719 10.1088/0022-3719/14/20/009 14, 2705 (1981).
The natural abundance of 121 Sb and 125 Te is 57 % and 7 %, respectively.
Juan Rodríguez-Carvajal, Physica B PHYBE3 0921-4526 10.1016/0921-4526(93)90108-I 192, 55 (1993).
J. O. Jenkins, J. A. Rayne, and R. W. Ure, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.5.3171 5, 3171 (1972).
T. L. Anderson and H. Krause, Acta Crystallogr. Sect. B ACBCAR 0567-7408 10.1107/S0567740874004729 30, 1307 (1974).
I. Sergueev, H.-C. Wille, R. P. Hermann, D. Bessas, Y. V. Shvyd'ko, M. Zajac, and R. Rüffer, J. Synchrotron Radiat. JSYRES 0909-0495 10.1107/S090904951102485X 18, 802 (2011).
R. Rüffer and A. Chumakov, Hyperfine Interact. HYINDN 0304-3843 10.1007/BF02150199 97-98, 589 (1996).
Handbook of Thermoelectrics, edited by D. M. Rowe (CRC Press, 1995).
A. I. Chumakov, A. Barla, R. Rüffer, J. Metge, H. F. Grünsteudel, H. Grünsteudel, J. Plessel, H. Winkelmann, and M. M. Abd-Elmeguid, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.58.254 58, 254 (1998).
C. J. Howard and E. H. Kisi, J. Appl. Crystallogr. JACGAR 0021-8898 10.1107/S0021889800012267 33, 1434 (2000). (Pubitemid 32182480)
M. Y. Hu, H. Sinn, A. Alatas, W. Sturhahn, E. E. Alp, H. C. Wille, Y. V. Shvyd'ko, J. P. Sutter, J. Bandaru, E. E. Haller, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.67.113306 67, 113306 (2003).
J. Barnes, J. Rayne, Phys. Lett. A PYLAAG 0375-9601 10.1016/0375-9601(74) 90243-6 46, 317 (1974).
X. Chen, H. D. Zhou, A. Kiswandhi, I. Miotkowski, Y. P. Chen, P.A. Sharma, A. L. L. Sharma, M. A. Hekmaty, D. Smirnov, and Z. Jiang, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.3672198 99, 261912 (2011).
The DOS program was modified for reconvoluting the extracted DPS with a Gaussian function with the same FWHM as the measured time integrated NFS.
V. Kohn and A. Chumakov, Hyperfine Interact. HYINDN 0304-3843 10.1023/A:1012689705503 125, 205 (2000). (Pubitemid 32267458)
H. J. Lipkin, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.52.10073 52, 10073 (1995).
In order to compare the DPS acquired using nuclear inelastic spectroscopy and the corresponding using neutrons, the correct weighting factor should be applied. In first approximation, the neutron weighted DPS, g n (E) is given by g n (E) = Σ i N i g i b c 2 i / M i, where N i is the number of atoms, b c 2 i is the nucleus specific coherent neutron scattering length, and g i is the element projected DPS.
G. C. Sosso, S. Caravati, and M. Bernasconi, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/21/9/095410 21, 095410 (2009).
W. Richter and C. R. Becker, Phys. Status Solidi B PSSBBD 0370-1972 10.1002/pssb.2220840226 84, 619 (1977).
V. G. Kohn, A. I. Chumakov, and R. Rüffer, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.58.8437 58, 8437 (1998).
R. Rüffer and A. Chumakov, Hyperfine Interact. HYINDN 0304-3843 10.1023/A:1012643918108 128, 255 (2000). (Pubitemid 32267472)
N. W. Ashcroft and N. D. Mermin, Solid State Physics (Brooks/Cole, 1976).
E. S. R. Gopal, Specific Heats at Low Temperatures (Heynwood Books, 1966).
R. Wielinga, J. Lubbers, and W. Huiskamp, Physica PHYSAG 0031-8914 10.1016/0031-8914(67)90194-2 37, 375 (1967).
R. Felten, F. Steglich, G. Weber, H. Rietschel, F. Gompf, B. Renker, and J. Beuers, Europhys. Lett. EULEEJ 0295-5075 10.1209/0295-5075/2/4/010 2, 323 (1986).
W. A. Phillips, J. Low Temp. Phys. JLTPAC 0022-2291 10.1007/BF00660072 7, 351 (1972).
J. W. Gardner and A. C. Anderson, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.23.474 23, 474 (1981).
R. Movshovich, A. Yatskar, M. F. Hundley, P. C. Canfield, and W.P. Beyermann, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.59.R6601 59, R6601 (1999).
H. R. Schober and W. Petry, Lattice Vibrations (Wiley-VCH Verlag GmbH, 2006).
T. Matsunaga, N. Yamada, R. Kojima, S. Shamoto, M. Sato, H. Tanida, T. Uruga, S. Kohara, M. Takata, P. Zalden, Adv. Funct. Mater. 1616-301X 10.1002/adfm.201002274 21, 2232 (2011).
D. Lencer, M. Salinga, B. Grabowski, T. Hickel, J. Neugebauer, and M. Wuttig, Nat. Mater. 1476-1122 10.1038/nmat2330 7, 971 (2008).
R. Hill, Proc. Phys. Soc. London, Sect. A PPSAAM 0370-1298 10.1088/0370-1298/65/5/307 65, 349 (1952).
U. Heinzmann and J. H. Dil, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/24/17/173001 24, 173001 (2012).
G. E. Shoemake, J. A. Rayne, and R. W. Ure, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.185.1046 185, 1046 (1969).
N. Peranio, M. Winkler, Z. Aabdin, J. König, H. Böttner, and O. Eibl, Phys. Status Solidi A 521, 163 (2012).
M. Saint-Paul, J. C. Lasjaunias, and M. Locatelli, J. Phys. C JPSOAW 0022-3719 10.1088/0022-3719/15/11/018 15, 2375 (1982).
Y. Wang, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/0022-3697(86) 90128-9 47, 181 (1986). (Pubitemid 16501945)
A. Pashinkin, A. Malkova, and M. Mikhailova, Russ. J. Phys. Chem. A RJPCAR 0036-0244 10.1134/S0036024408060319 82, 1035 (2008). (Pubitemid 351769867)
B. Y. Yavorsky, N. F. Hinsche, I. Mertig, and P. Zahn, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.165208 84, 165208 (2011).
N. Sakai, T. Kajiwara, K. Takemura, S. Minomura, and Y. Fujii, Solid State Commun. SSCOA4 0038-1098 10.1016/0038-1098(81)90248-9 40, 1045 (1981). (Pubitemid 12474617)
D. Hsieh, Y. Xia, D. Qian, L. Wray, J. H. Dil, F. Meier, J. Osterwalder, L. Patthey, J. G. Checkelsky, N. P. Ong, Nature (London) NATUAS 0028-0836 10.1038/nature08234 460, 1101 (2009).
A. Migliori and J. L. Sarrao, Resonant Ultrasound Spectroscopy (Wiley, 1997).
R. P. Hermann, F. Grandjean, and G. J. Long, Am. J. Phys. AJPIAS 0002-9505 10.1119/1.1783899 73, 110 (2005).
J. Garg, N. Bonini, B. Kozinsky, and N. Marzari, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.106.045901 106, 045901 (2011).
T. Barron, J. Collins, and G. White, Adv. Phys. ADPHAH 0001-8732 10.1080/00018738000101426 29, 609 (1980).
G. K. White, J. Phys. C JPSOAW 0022-3719 10.1088/0022-3719/5/19/006 5, 2731 (1972).
E. S. Toberer, A. Zevalkink, and G. J. Snyder, J. Mater. Chem. JMACEP 0959-9428 10.1039/c1jm11754h 21, 15843 (2011).
D. Spitzer, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/0022-3697(70) 90284-2 31, 19 (1970).
B. Qiu and X. Ruan, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.80. 165203 80, 165203 (2009).
O. Anderson, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/0022-3697(59) 90250-1 12, 41 (1959).
G. A. Slack, Solid State Physics 0081-1947 10.1016/S0081-1947(08)60359-8 34, 1 (1979).
A. Jacquot, N. Farag, M. Jaegle, M. Bobeth, J. Schmidt, D. Ebling, and H. Böttner, J. Electron. Mater. JECMA5 0361-5235 10.1007/s11664-009-1059-x 39, 1861 (2010).
M. Wuttig and N. Yamada, Nat. Mater. 1476-1122 10.1038/nmat2009 6, 824 (2007). (Pubitemid 350050578)