Abstract
We report here high-pressure x-ray diffraction (XRD) studies on tellurium (Te) at room temperature up to 40 GPa in the diamond anvil cell (DAC). The XRD measurements clearly indicate a sequence of pressure-induced phase transitions with increasing pressure. The data obtained in the pressure range 1 bar to 40 GPa fit five different crystalline phases out of Te: hexagonal Te (I) → monoclinic Te(II) → orthorhombic Te (III) → Β-Po-type Te(IV) → body-centered-cubic Te(V) at 4, 6.2, 11 and 27 GPa, respectively. The volume changes across these transitions are 10%, 1.5%, 0.3% and 0.5%, respectively.
Self consistent electronic band structure calculations both for ambient and high pressure phases have been carried out using the tight binding linear muffin tin orbital (TB-LMTO) method within the atomic-sphere approximation (ASA). Reported here apart from the energy band calculations are the density of states (DOS), Fermi energy (E f) at various high-pressure phases. Our calculations show that the ambient pressure hexagonal phase has a band gap of 0.42 eV whereas high-pressure phases are found to be metallic. We also found that the pressure induced semiconducting to metallic transition occurs at about 4 GPa which corresponds to the hexagonal phase to monoclinic phase transition. Equation of state and bulk modulus of different high-pressure phases have also been discussed.
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References
Raiph W G Wyckoff,Crystal Structures, (Interscience Publishers, New York, 1963) Second Edition, Volume 1, pp.36
W B Holzapfel,Rep. Prog. Phys. 59, 29 (1996) and also
G Parthasarthy and W B Holzapfel,Phys. Rev. B37, 6499 (1988)
T Kruger and W B Holzapfel,Phys. Rev. Lett. 69, 305 (1992)
Y Akahama, M Kobayashi and H Kawamura,Phys. Rev. B46, 6662 (1993)
Y Ohmasa, I Yamamoto, M Yao and H Endo,J. Phys. Soc. Japan,64, 4766 (1995) and the references therein.
Y Akahama, M Kobayashi and H Kawamura,Phys. Rev. B47, 20 (1993)
Y Shimoi and H Fukutome,Prog. Theor. Phys. 87, 307 (1992)
G Doerre and J D Joannopoulos,Phys Rev. Lett. 43, 1040 (1979)
F Kirchhoff, N Binggeli and G Galli,Phys. Rev. B50, 9063 (1994)
R M Martin, G Lucovsky and K Helliwell,Phys. Rev. B13, 1363 (1976)
O K Anderson,Phys. Rev. B12, 3060 (1975)
H L Skriver,The LMTO method (Springer-Verlag), 1984
OK Anderson and O Jepsen,Phys. Rev. Lett. 53, 2571 (1984)
G K Kalpana, B Palanivel and M RajagopalanPhys. Rev. B50, 12316 (1994) and references therein (I B Shameem Banu, B Palanivel, G Kalpana, P Shenbagaraman and M Rajagopalan,Advances in high pressure science and technology, edited by M Yousuf, N Subramanian, K Govinda Rajan (University Press, Orient-Longman Limited, Hyderabad, 1997) page 302
A K Bandyopadhyay and L C Ming,Phys. Rev. B54, 12049 (1996)
P Ch Sahu, Mohammad Yousuf, N V Chandra Shekar, N Subramanian and K Govindarajan,Rev. Sei. Instrum. 66, 295 (1995)
K Aoki, O Shimomura, S Minomura, N Koshizuka and T Tsushgwa,J. Phys. Soc. Japan 48, 906 (1980)
W Kohn and L J Sham,Phys. Rev. 140, 1133 (1965)
U von Barth and L Hedin,J. Phys. C5, 1629 (1972)
N E Christensen,Phys. Rev. B32, 207 (1985)
G Kalpana, B Palanivel and M Rajagopalan,Phys. Rev. B50, 12318 (1994)
D B Singh, A K Bandyopadhyay, M Rajagopalan, P Ch Sahu, M Yousuf and K Govindarajan,Solid State Commun. 109, 339 (1999)
O Jepsen and O K Andersen,Solid State Commun. 9, 1763 (1971)
M Rajagopalan,Advances in high pressure science and technology, edited by M Yousuf, N Subramanian, K Govinda Rajan (University Press, Orient-Longman Limited, Hyderabad, 1997) 264 and 330
R Keller, W B Holzapfel and H Schulz,Phys. Rev. B16, 4404 (1977)
K Aoki, O Shimomura and S Minomura,J. Phys. Soc. Japan 48, 551 (1980)
R Jeanloz,Geophys. Res. Lett. 6, 1219 (1961)
D Xiong, L C Ming and M H Manghnani,Phys. Earth Planet. Int. 43, 244 (1967)
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Bandyopadhyay, A.K., Singh, D.B. Pressure induced phase transformations and band structure of different high pressure phases in tellurium. Pramana - J Phys 52, 303–319 (1999). https://doi.org/10.1007/BF02828893
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DOI: https://doi.org/10.1007/BF02828893