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The elastic, electronic and thermodynamic properties of the superconducting ErNi2B2C material at high pressure are investigated using the plane-wave pseudopotential density functional theory. The analysis shows the dependences of the elastic constants, bulk modulus, shear modulus, Young's modulus and elastic anisotropy factors on the applied pressure. The calculated electronic density of states (DOS) reveals that the DOS peak at the Fermi level (EF) will decrease noticeably with pressure. It can be concluded that the pressure may reduce the superconducting temperature (Tc) of ErNi2B2C since the relatively high Tc originates from the peak in the DOS. This phenomenon is also found in some other superconductors such as MgB2 and SrAlSi. Moreover, based on the quasi-harmonic Debye model, the results of the thermodynamic properties indicate that the pressure and temperature have significant influences on the thermal expansion coefficient and heat capacity.
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Keywords:
- high pressure /
- elastic properties /
- electronic structure /
- thermodynamic properties
[1] Cava R J, Takagi H, Zandbergen H W, Krajewski J J, Peck Jr W F, Siegrist T, Batlogg B, van Dover R B, Felder R J, Mizuhashi K, Lee J O, Eisaki H, Uchida S 1994 Nature 367 252
[2] Siegrist T, Zandbergen H W, Cava R J, Krajewski J J, Peck Jr W F 1994 Nature 367 254
[3] Cho B K, Canfield P C, Johnston D C 1995 Phys. Rev. B 52 3844
[4] Pickett W E, Singh D J 1994 Phys. Rev. Lett. 72 3702
[5] Mattheiss L F 1994 Phys. Rev. B 49 13279
[6] Hoellwarth C C, Klavins P, Shelton R N 1996 Phys. Rev. B 53 2579
[7] Sánchez D R, Micklitz H, Baggio-Saitovitch E M 2005 Phys. Rev. B 71 024509
[8] Canfield P C, Gammel P L, Bishop D J 1998 Phys. Today 51 40
[9] Bud'ko S, Canfield P 2006 C. R. Phys. 7 56
[10] Choi S M, Lynn J W, Lopez J W, Gammel P L, Canfield P C, Bud'ko S L 2001 Phys. Rev. Lett. 87 107001
[11] Kawano-Furukawa H, Takeshita H, Ochiai M, Nagata T, Yoshizawa H, Furukawa N, Takeya H, Kadowaki K 2002 Phys. Rev. B 65 180508
[12] Schmidt H, Braun H F 1994 Physica C 229 315
[13] Alleno E, Neumeier J J, Thompson J D, Canfield P C, Cho B K 1995 Physica C 242 169
[14] Kresse G, Hafner J 1993 Phys. Rev. B 47 558
[15] Kresse G, Furthmller J 1996 Phys. Rev. B 54 11169
[16] Perdew J P, Chevary J A, Vosko S H, Jackson K A, Pederson M R, Singh D J, Fiolhais C 1992 Phys. Rev. B 46 6671
[17] Perdew J P, Burke K, Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[18] Jiao Z Y, Yang J F, Zhang X Z, Ma S H, Guo Y L 2011 Acta Phys. Sin. 60 117103 (in Chinese) [焦照勇, 杨继飞, 张现周, 马淑红, 郭永亮 2011 60 117103]
[19] Li S N, Liu Y 2010 Acta Phys. Sin. 59 6882 (in Chinese) [李世娜, 刘 永 2010 59 6882]
[20] Zhang W, Chen W Z, Wang J F, Zhang X D, Jiang Z Y 2012 Acta Phys. Sin. 61 246201 (in Chinese) [张 炜, 陈文周, 王俊斐, 张小东, 姜振益 2012 61 246201]
[21] Chen H C, Yang L J 2011 Acta Phys. Sin. 60 014207 (in Chinese) [陈海川, 杨利君 2011 60 014207]
[22] Blanco M A, Francisco E, Luana V 2004 Comp. Phys. Commun. 158 57
[23] Lynn J W, Skanthakumar S, Huang Q, Sinha S K, Hossain Z, Gupta L C, Nagarajan R, Godart C 1997 Phys. Rev. B 55 6584
[24] Ranganathan S I, Ostoja-Starzewski M 2008 Phys. Rev. Lett. 101 055504
[25] Chung D H, Buessem W R 1968 edited by Vahldiek F W, Mersol S A Anisotropy in Single Crystal Refractory Compound (Vol.2) (New York: Plenum) p217
[26] Rourke P M C, Paglione J, Ronning F, Taillefer L, Kadowaki K 2003 Physica C 397 1
[27] Meenakshi S, Vijayakumar V, Rao R S, Sikka B K, Ravindran P, Hossain Z, Nagarajan R, Gupta L C, Vijayaraghavan R 1998 Phys. Rev. B 58 3377
[28] Weht R, Cappannini O M, Rodríguez C O, Christensen N E 1996 Physica C 260 125
[29] Ravindran P, Fast L, PKorzhavyi. A, Johansson B, Wills J, Eriksson O 1998 J. Appl. Phys. 84 4891
[30] Calegari E J, Magalhães S G, Chaves C M, Troper A 2011 Supercond. Sci. Technol. 24 035004
[31] Wang Y C, Lü J, Ma Y M, Cui T, Zou G T 2009 Phys. Rev. B 80 092505
[32] Lorenz B, Cmaidalka J, Meng R L, Chu C W 2003 Phys. Rev. B 68 014512
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[1] Cava R J, Takagi H, Zandbergen H W, Krajewski J J, Peck Jr W F, Siegrist T, Batlogg B, van Dover R B, Felder R J, Mizuhashi K, Lee J O, Eisaki H, Uchida S 1994 Nature 367 252
[2] Siegrist T, Zandbergen H W, Cava R J, Krajewski J J, Peck Jr W F 1994 Nature 367 254
[3] Cho B K, Canfield P C, Johnston D C 1995 Phys. Rev. B 52 3844
[4] Pickett W E, Singh D J 1994 Phys. Rev. Lett. 72 3702
[5] Mattheiss L F 1994 Phys. Rev. B 49 13279
[6] Hoellwarth C C, Klavins P, Shelton R N 1996 Phys. Rev. B 53 2579
[7] Sánchez D R, Micklitz H, Baggio-Saitovitch E M 2005 Phys. Rev. B 71 024509
[8] Canfield P C, Gammel P L, Bishop D J 1998 Phys. Today 51 40
[9] Bud'ko S, Canfield P 2006 C. R. Phys. 7 56
[10] Choi S M, Lynn J W, Lopez J W, Gammel P L, Canfield P C, Bud'ko S L 2001 Phys. Rev. Lett. 87 107001
[11] Kawano-Furukawa H, Takeshita H, Ochiai M, Nagata T, Yoshizawa H, Furukawa N, Takeya H, Kadowaki K 2002 Phys. Rev. B 65 180508
[12] Schmidt H, Braun H F 1994 Physica C 229 315
[13] Alleno E, Neumeier J J, Thompson J D, Canfield P C, Cho B K 1995 Physica C 242 169
[14] Kresse G, Hafner J 1993 Phys. Rev. B 47 558
[15] Kresse G, Furthmller J 1996 Phys. Rev. B 54 11169
[16] Perdew J P, Chevary J A, Vosko S H, Jackson K A, Pederson M R, Singh D J, Fiolhais C 1992 Phys. Rev. B 46 6671
[17] Perdew J P, Burke K, Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[18] Jiao Z Y, Yang J F, Zhang X Z, Ma S H, Guo Y L 2011 Acta Phys. Sin. 60 117103 (in Chinese) [焦照勇, 杨继飞, 张现周, 马淑红, 郭永亮 2011 60 117103]
[19] Li S N, Liu Y 2010 Acta Phys. Sin. 59 6882 (in Chinese) [李世娜, 刘 永 2010 59 6882]
[20] Zhang W, Chen W Z, Wang J F, Zhang X D, Jiang Z Y 2012 Acta Phys. Sin. 61 246201 (in Chinese) [张 炜, 陈文周, 王俊斐, 张小东, 姜振益 2012 61 246201]
[21] Chen H C, Yang L J 2011 Acta Phys. Sin. 60 014207 (in Chinese) [陈海川, 杨利君 2011 60 014207]
[22] Blanco M A, Francisco E, Luana V 2004 Comp. Phys. Commun. 158 57
[23] Lynn J W, Skanthakumar S, Huang Q, Sinha S K, Hossain Z, Gupta L C, Nagarajan R, Godart C 1997 Phys. Rev. B 55 6584
[24] Ranganathan S I, Ostoja-Starzewski M 2008 Phys. Rev. Lett. 101 055504
[25] Chung D H, Buessem W R 1968 edited by Vahldiek F W, Mersol S A Anisotropy in Single Crystal Refractory Compound (Vol.2) (New York: Plenum) p217
[26] Rourke P M C, Paglione J, Ronning F, Taillefer L, Kadowaki K 2003 Physica C 397 1
[27] Meenakshi S, Vijayakumar V, Rao R S, Sikka B K, Ravindran P, Hossain Z, Nagarajan R, Gupta L C, Vijayaraghavan R 1998 Phys. Rev. B 58 3377
[28] Weht R, Cappannini O M, Rodríguez C O, Christensen N E 1996 Physica C 260 125
[29] Ravindran P, Fast L, PKorzhavyi. A, Johansson B, Wills J, Eriksson O 1998 J. Appl. Phys. 84 4891
[30] Calegari E J, Magalhães S G, Chaves C M, Troper A 2011 Supercond. Sci. Technol. 24 035004
[31] Wang Y C, Lü J, Ma Y M, Cui T, Zou G T 2009 Phys. Rev. B 80 092505
[32] Lorenz B, Cmaidalka J, Meng R L, Chu C W 2003 Phys. Rev. B 68 014512
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