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Chin. Phys. B, 2016, Vol. 25(7): 076401    DOI: 10.1088/1674-1056/25/7/076401
CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES Prev   Next  

Photo-induced athermal phase transitions of HgX (X= S, Se, Te) by ab initio study

Da-hua Ren(任达华)1, Xin-lu Cheng(程新路)1,2, Hong Zhang(张红)1,2,3
1 Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China;
2 Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610064, China;
3 College of Physical Science and Technology, Sichuan University, Chengdu 610064, China
Abstract  Ab initio calculations of lattice constants, lattice stabilities of HgX (X=S, Se, Te) at different electronic temperatures (Te) have been performed within the density functional theory (DFT). We find that the lattice constants of HgX increase and the phonon frequencies reduce as Te increases. Especially the transverse-acoustic (TA) phonon frequencies of HgX gradually become negative with the elevation of the electron temperature. That is to say ultrafast intense laser induces lattice instabilities of HgX and athermal melting appears for the increase of laser intensity. What is more, with the X atom number increasing, the critical electronic temperatures of HgX are decreased in sequence. This result would be helpful for understanding the athermal melting processes for femtosecond laser micromachining.
Keywords:  ab initio calculation      mercury chalcogenides      lattice stability      athermal melting  
Received:  06 February 2016      Revised:  23 March 2016      Accepted manuscript online: 
PACS:  64.70.kg (Semiconductors)  
  71.15.Mb (Density functional theory, local density approximation, gradient and other corrections)  
  71.55.Gs (II-VI semiconductors)  
Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 11374217 and 11176020).
Corresponding Authors:  Xin-lu Cheng     E-mail:  chengxl@scu.edu.cn

Cite this article: 

Da-hua Ren(任达华), Xin-lu Cheng(程新路), Hong Zhang(张红) Photo-induced athermal phase transitions of HgX (X= S, Se, Te) by ab initio study 2016 Chin. Phys. B 25 076401

[1] Arora G and Ahuja B L 2008 Radiat. Phys. Chem. 77 9
[2] Hassan F E H, Shafaay B A, Meradji H, Ghemid S, Belkhir H and Korek M 2011 Phys Scr. 84 065601
[3] Zallan R 1967 II-IV Semiconducting Compounds (Thomas D G Eds.) (New York: Benjamin) p. 877
[4] Bond W L, Boyd G D and Carter H L 1967 J. Appl. Phys. 38 4090
[5] Kreingold F I 1963 Sov. Phys. Solid State 4 1904
[6] Roberts G G, Lind E L and Davis E A 1969 J. Phys. Chem. Solids 30 833
[7] Sapriel J 1971 Appl. Phys. Lett. 19 533
[8] Al Shafaay B, El Haj Hassan F and Korek M 2014 Comput. Mater. Sci. 83 107
[9] Svane A, Christensen N E, Chantis A N, van Schilfgaarde M and Kotani T 2011 Phys. Rev. B 84 205205
[10] Cardona M, Kremer R K, Lauck R, Siegle G, Munoz A and Romero A H 2009 Phys. Rev.B 80 195204
[11] Delin A and Klüner T 2002 Phys. Rev. B 66 035117
[12] Verma A S, Singh R K and Rathi S K 2009 Physica B 404 4051
[13] Secuk M N, Aycibin M, Erdinc B, Gulebaglan S E, Dogan E K and Akkus H 2014 Am. J. Conden. Matt. Phys. 4 13
[14] Wang L, Yuan P F, Wang F, Sun Q, Guo Z X, Liang E J and Jia Y 2014 Mater. Chem. Phys. 148 214
[15] Feng Q, Picard Y, Liu H, Yalisove S, Mourou G and Pollock T 2005 Scr. Mater. 53 511
[16] Feng S Q, Zhang H P, Wang Y Q, Cheng X L and Yue J S 2016 Chin. Phys. B 25 016701
[17] Recoules V, Clérouin J, Zérah G, Anglade P M and Mazevet S 2006 Phys. Rev. Lett. 96 055503
[18] Shen Y H and Gao T 2015 J. Alloys Compd. 645 193
[19] Feng S Q, Zhao J L and Cheng X L 2013 J. Appl. Phys. 113 023301
[20] Deng F M, Gao T, Shen Y H and Gong Y R 2015 Acta Phys. Sin. 64 046301 (in Chinese)
[21] Linderberg A M and Laarson J 2005 Science 308 392
[22] Thompson M O, Galvin G J, Mayer J W, Peercy P S, Poate J M, Jacobson D C, Cullis A G and Chew N G 1984 Phys. Rev. Lett. 52 2360
[23] Mueller B Y and Rethfeld B 2013 Phys. Rev. B 87 035139
[24] Bévillon E, Colombier J P, Recoules V and Stoian R 2015 Appl. Surf. Sci. 336 79
[25] Wu Z G and Cohen R E 2006 Phys. Rev. B 73 235116
[26] Staroverov V N and Scuseria G E 2006 Phys. Rev. A 74 044501
[27] Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[28] Blochl P E 1994 Phys. Rev. B 50 17953
[29] Dong B J, Yang T, Wang J Z and Zhang Z D 2015 Chin. Phys. B 24 096806
[30] Kohn W and Sham L J 1965 Phys. Rev. 140 A1133
[31] Kresse G and Furthmuller J 1996 Phys. Rev. B 54 11169
[32] Kresse G, Furthmüller J and Hafner J 1995 Europhys. Lett. 32 729
[33] Parlinski K, Li Z Q and Kawazoe Y 1997 Phys. Rev. Lett. 78 4063
[34] Baroni S, de Gironcoli S, Corso A D and Giannozzi P 2001 Rev. Mod. Phys. 73 515
[35] Togo A, Oba F and Tanaka I 2008 Phys. Rev. B 78 134106
[36] Kuwabara A, Matsunaga K and Tanaka I 2008 Phys. Rev. B 78 064104
[37] Pick R M, Cohen M H and Martin R M 1970 Phys. Rev. B 1 910
[38] Zallen R and Slade M 1970 Solid State Commun. 8 1291
[39] Madelung O 1986 Landolt-Börnstein Tables (Vol. III/22a New Series) (New York: Springer)
[40] Werner A, Hochheimer H D and Strössner K 1983 Phys. Rev. B 28 3330
[41] Zijlstra E S, Walkenhorst J and Garcia M E 2008 Phys. Rev. Lett. 101 135701
[42] Stampfli P and Bennemann K H 1992 Phys. Rev. B 46 10686
[43] Huang K and Han R Q 1988 Solid State Physics (Vol. 1) (Beijing: Higher Education Press) pp. 63-107
[44] Radescu S and Mujica A and Needs R J 2009 Phys. Rev. B 80 144110
[45] Łazewski J, Parlinski, K Szuszkiewicz W and Hennion B 2003 Phys. Rev. B 67 094305
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