SCOPUS 정보 검색 플랫폼

Physica B: Condensed Matter

Volumn 405, Issue 19, 2010, Pages 4219-4225

Lattice dynamics and elastic properties of Mg3As2and Mg3Sb2 compounds from first-principles calculations

(3) Tani, Jun Ichi a Takahashi, Masanari a Kido, Hiroyasu a

a OSAKA MUNICIPAL TECHNICAL RESEARCH INSTITUTE (Japan)

Author keywords

Born effective charge; Density functional theory; Lattice dynamics; Phonons; Thermodynamic properties

Indexed keywords

ANTIMONY COMPOUNDS; CALCULATIONS; CRYSTAL LATTICES; DYNAMICS; ELASTICITY; LATTICE THEORY; LATTICE VIBRATIONS; PHONONS; SPECIFIC HEAT; THERMODYNAMIC PROPERTIES; THERMODYNAMICS; DEBYE TEMPERATURE; SOLIDS; TIME VARYING SYSTEMS; WAVE FUNCTIONS;

BORN EFFECTIVE CHARGE; FIRST-PRINCIPLES CALCULATION; LINEAR RESPONSE METHOD; OPTICAL PHONON FREQUENCIES; PHONON DENSITY OF STATE; PHONON DISPERSION RELATIONS; STRUCTURE PARAMETER; THERMODYNAMIC QUANTITIES; BRILLOUIN ZONES; ELASTIC PROPERTIES; LATTICE DYNAMICS; PHONON DISPERSIONS; VIBRATIONAL ENTROPY;

DENSITY FUNCTIONAL THEORY;

EID: 77957119629 PISSN: 09214526 EISSN: None Source Type: Journal
DOI: 10.1016/j.physb.2010.07.014 Document Type: Article

Times cited : (52)

References (45)

1
- 84946043004
- T. Kajikawa, N. Kimura, T. Yokoyama, M. Umemoto, Y. Shirai, K. Tsuchiya, Proceedings of the 22nd International Conference on Thermoelectrics (ICT'03), 2003, p. 305.
- (2003) Proceedings of the 22nd International Conference on Thermoelectrics (ICT'03) , pp. 305
- Kajikawa, T.¹ Kimura, N.² Yokoyama, T.³ Umemoto, M.⁴ Shirai, Y.⁵ Tsuchiya, K.⁶

2
- 33746498448
- C.L Condron, S.M. Kauzlarich, F. Gascoin, G.J. Snyder, J. Solid State Chem. 179 (2006) 2252.
- (2006) J. Solid State Chem. , vol.179 , pp. 2252
- Condron, C.L.¹ Kauzlarich, S.M.² Gascoin, F.³ Snyder, G.J.⁴

3
- 33846866092
- H.X. Xin, X.Y. Qin, J. Phys. D: Appl. Phys. 39 (2006) 5331.
- (2006) J. Phys. D: Appl. Phys. , vol.39 , pp. 5331
- Xin, H.X.¹ Qin, X.Y.²

4
- 34548448157
- F. Ahmadpour, T. Kolodiazhnyi, Y. Mozharivskyj, J. Solid State Chem. 180 (2007) 2420.
- (2007) J. Solid State Chem. , vol.180 , pp. 2420
- Ahmadpour, F.¹ Kolodiazhnyi, T.² Mozharivskyj, Y.³

5
- 69949088968
- K.X. Zhang, X.Y. Qin, H.X. Xin, H.J. Li, J. Zhang, J. Alloys Compd. 484 (2009)498.
- (2009) J. Alloys Compd. , vol.484 , pp. 498
- Zhang, K.X.¹ Qin, X.Y.² Xin, H.X.³ Li, H.J.⁴ Zhang, J.⁵

6
- 70349089326
- H.X. Xin, X.Y. Qin, J.H. Jia, C.J. Song, K.X. Zhang, J. Zhang, J. Phys. D: Appl. Phys. 42 (2009) 165403.
- (2009) J. Phys. D: Appl. Phys. , vol.42 , pp. 165403
- Xin, H.X.¹ Qin, X.Y.² Jia, J.H.³ Song, C.J.⁴ Zhang, K.X.⁵ Zhang, J.⁶

7
- 0043064165
- H. Honda, H. Sakaguchi, I. Tanaka, T. Esaka, J. Power Sources 123 (2003) 216.
- (2003) J. Power Sources , vol.123 , pp. 216
- Honda, H.¹ Sakaguchi, H.² Tanaka, I.³ Esaka, T.⁴

8
- 0022113645
- P. Singh, K.K. Sarkar, Solid State Commun. 55 (1985) 439.
- (1985) Solid State Commun. , vol.55 , pp. 439
- Singh, P.¹ Sarkar, K.K.²

9
- 0032073333
- J.C. Viala, F. Barbeau, F. Bosselet, M. Peronnet, J. Mater. Sci. Lett. 17 (1998) 757.
- (1998) J. Mater. Sci. Lett. , vol.17 , pp. 757
- Viala, J.C.¹ Barbeau, F.² Bosselet, F.³ Peronnet, M.⁴

10
- 0034315131
- Y. Guangyin, S. Yangshan, D. Wenjiang, Scr. Mater 43 (2000) 1009.
- (2000) Scr. Mater , vol.43 , pp. 1009
- Guangyin, Y.¹ Yangshan, S.² Wenjiang, D.³

11
- 34848894544
- A. Srinivasan, S. Ningshen, U. Kamachi Mudali, U.T.S. Pillai, B.C. Pai, Intermetallics 15 (2007) 1511.
- (2007) Intermetallics , vol.15 , pp. 1511
- Srinivasan, A.¹ Ningshen, S.² Kamachi Mudali, U.³ Pillai, U.T.S.⁴ Pai, B.C.⁵

12
- 0003980328
- CRC Press, New York
- D.M. Rowe, CRC Handbook of Thermoelectrics, CRC Press, New York, 1995.
- (1995) CRC Handbook of Thermoelectrics
- Rowe, D.M.¹

13
- 33748263468
- CRC Press, New York
- D.M. Rowe, Thermoelectrics Handbook Macro to Nano, CRC Press, New York, 2006.
- (2006) Thermoelectrics Handbook Macro to Nano
- Rowe, D.M.¹

14
- 33745933466
- V.K. Zaitsev, M.I. Fedorov, E.A. Gurieva, I.S. Eremin, P.P. Kondtantinov, AY. Samunin, M.V. Vedernikov, Phys. Rev. B 74 (2006) 045207.
- (2006) Phys. Rev. B , vol.74 , pp. 045207
- Zaitsev, V.K.¹ Fedorov, M.I.² Gurieva, E.A.³ Eremin, I.S.⁴ Kondtantinov, P.P.⁵ Samunin, A.Y.⁶ Vedernikov, M.V.⁷

15
- 0039423900
- E. Zintl, E. Husemann, Z. Phys. Chem. 21B (1933) 138.
- (1933) Z. Phys. Chem. , vol.21 B , pp. 138
- Zintl, E.¹ Husemann, E.²

16
- 33748790685
- L.G. Sevast'yanova, O.V. Kravchenko, O.K. Gulish, V.A Stupnikov, M.E. Leonova, M.G. Zhizhin, Inorg. Mater. 42 (2006) 863.
- (2006) Inorg. Mater. , vol.42 , pp. 863
- Sevast'Yanova, L.G.¹ Kravchenko, O.V.² Gulish, O.K.³ Stupnikov, V.A.⁴ Leonova, M.E.⁵ Zhizhin, M.G.⁶

17
- 51849184183
- A.A Nayeb-Hashemi, J.B. Clark, J. Phase Equilib. 6 (1985) 432.
- (1985) J. Phase Equilib. , vol.6 , pp. 432
- Nayeb-Hashemi, A.A.¹ Clark, J.B.²

18
- 33646807156
- Y. Imai, A. Watanabe, J. Mater. Sci. 41 (2006) 2435.
- (2006) J. Mater. Sci. , vol.41 , pp. 2435
- Imai, Y.¹ Watanabe, A.²

19
- 77957110862
- H. Zhang, S. Shang, J.E. Saal, A Saengdeejing, Y. Wang, L.-Q. Chen, Z.-K. Liu, Intermetallics 17 (2009) 78.
- (2009) Intermetallics , vol.17 , pp. 78
- Zhang, H.¹ Shang, S.² Saal, J.E.³ Saengdeejing, A.⁴ Wang, Y.⁵ Chen, L.-Q.⁶ Liu, Z.-K.⁷

20
- 77955082957
- D.W. Zhou, J.S. Liu, S.H. Xu, P. Peng, Physica B 405 (2010) 2863.
- (2010) Physica B , vol.405 , pp. 2863
- Zhou, D.W.¹ Liu, J.S.² Xu, S.H.³ Peng, P.⁴

21
- 20144380685
- S.J. Clark, M.D. Segall, C.J. Pickard, P.J. Hasnip, M.J. Probert, K. Refson, M.C. Payne, Z. Kristallogr. 220 (2005) 567.
- (2005) Z. Kristallogr , vol.220 , pp. 567
- Clark, S.J.¹ Segall, M.D.² Pickard, C.J.³ Hasnip, P.J.⁴ Probert, M.J.⁵ Refson, K.⁶ Payne, M.C.⁷

22
- 0001139472
- J.S. Lin, A Qteish, M.C. Payne, V. Heine, Phys. Rev. B 47 (1993) 4174.
- (1993) Phys. Rev. B , vol.47 , pp. 4174
- Lin, J.S.¹ Qteish, A.² Payne, M.C.³ Heine, V.⁴

23
- 4243943295
- J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77 (1996) 3865.
- (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

24
- 1842816907
- H.J. Monkhorst, J.D. Pack, Phys. Rev. B 13 (1976) 5188.
- (1976) Phys. Rev. B , vol.13 , pp. 5188
- Monkhorst, H.J.¹ Pack, J.D.²

25
- 0001084315
- X. Gonze, Phys. Rev. B 55 (1997) 10337.
- (1997) Phys. Rev. B , vol.55 , pp. 10337
- Gonze, X.¹

26
- 0001096933
- X. Gonze, C. Lee, Phys. Rev. B 55 (1997) 10355.
- (1997) Phys. Rev. B , vol.55 , pp. 10355
- Gonze, X.¹ Lee, C.²

27
- 33646036745
- K. Refson, S.J. Clark, P.R. Tulip, Phys. Rev. B 73 (2006) 155114.
- (2006) Phys. Rev. B , vol.73 , pp. 155114
- Refson, K.¹ Clark, S.J.² Tulip, P.R.³

28
- 77951140178
- Accelrys Inc., San Diego, CA, and reference therein
- CASTEP Users Guide, Accelrys Inc., San Diego, CA, 2005 and reference therein.
- (2005) CASTEP Users Guide

29
- 84982347972
- R. Juza, R. Kroebel, Z. Anorg. Allg. Chem. 331 (1964) 187.
- (1964) Z. Anorg. Allg. Chem. , vol.331 , pp. 187
- Juza, R.¹ Kroebel, R.²

30
- 0039423901
- M. Martinez-Ripoll, A Haase, G. Brauer, Acta Crystallogr., Sect. B: Struct. Sci. 30 (1974)2006.
- (1974) Acta Crystallogr., Sect. B: Struct. Sci. , vol.30 , pp. 2006
- Martinez-Ripoll, M.¹ Haase, A.² Brauer, G.³

31
- 33847314121
- Z. Wu, E. Zhao, H. Xiang, X. Hao, X. Uu, J. Meng, Phys. Rev. B 76 (2007) 054115.
- (2007) Phys. Rev. B , vol.76 , pp. 054115
- Wu, Z.¹ Zhao, E.² Xiang, H.³ Hao, X.⁴ Uu, X.⁵ Meng, J.⁶

32
- 0003581108
- Teubner, Leipzig, reprinted
- W. Voigt, Lehrbuch der Kristallphysik, Teubner, Leipzig, 1910 (reprinted 1928).
- (1928) Lehrbuch der Kristallphysik , vol.1910
- Voigt, W.¹

33
- 84956078977
- A. Reuss, Z. Angew. Math. Mech. 9 (1929) 49.
- (1929) Z. Angew. Math. Mech. , vol.9 , pp. 49
- Reuss, A.¹

34
- 33144479510
- R. Hill, Proc. Phys. Soc. London, Sect. A 65 (1952) 349.
- (1952) Proc. Phys. Soc. London, Sect. A , vol.65 , pp. 349
- Hill, R.¹

35
- 0000829983
- S.F. Pugh, Philos. Mag. 45 (1954) 823.
- (1954) Philos. Mag. , vol.45 , pp. 823
- Pugh, S.F.¹

36
- 33751236681
- G. Leibfried, W. Ludwig, Solid State Phys. 12 (1961) 275.
- (1961) Solid State Phys. , vol.12 , pp. 275
- Leibfried, G.¹ Ludwig, W.²

37
- 19944374347
- O.L. Anderson, J. Phys. Chem. Solids 24 (1963) 909.
- (1963) J. Phys. Chem. Solids , vol.24 , pp. 909
- Anderson, O.L.¹

38
- 0003912881
- McGraw-Hill, New York
- E. Schreiber, O.L. Anderson, N. Soga, in: Elastic Constants and their Measurements, McGraw-Hill, New York, 1973.
- (1973) Elastic Constants and Their Measurements
- Schreiber, E.¹ Anderson, O.L.² Soga, N.³

39
- 84986769129
- D.L Rousseau, R.P. Bauman, S.P.S. Porto, J. Raman Spectrosc. 10 (1981) 253.
- (1981) J. Raman Spectrosc , vol.10 , pp. 253
- Rousseau, D.L.¹ Bauman, R.P.² Porto, S.P.S.³

40
- 0003496090
- Clarendon, Oxford
- M. Born, K. Huang, in: Dynamical Theory of Crystal Lattices, Clarendon, Oxford, 1954.
- (1954) Dynamical Theory of Crystal Lattices
- Born, M.¹ Huang, K.²

41
- 0001135836
- Ph. Ghosez, J.-P. Michenaud, X. Gonze, Phys. Rev. B 58 (1998) 6224.
- (1998) Phys. Rev. B , vol.58 , pp. 6224
- Ghosez, Ph.¹ Michenaud, J.-P.² Gonze, X.³

42
- 0003470014
- Saunders College, Philadelphia
- N.W. Achcroft, N.D. Mermin, in: Solid State Physics, Saunders College, Philadelphia, 1976.
- (1976) Solid State Physics
- Achcroft, N.W.¹ Mermin, N.D.²

43
- 74249086195
- H. Schimpff, Z. Phys. Chem. 71 (1910) 257.
- (1910) Z. Phys. Chem. , vol.71 , pp. 257
- Schimpff, H.¹

44
- 0023399483
- B. Jönsson, J. Ågren, Metall. Trans. A 18A (1987) 1395.
- (1987) Metall. Trans. A , vol.18 A , pp. 1395
- Jönsson, B.¹ Ågren, J.²

45
- 74249113934
- M. Paliwal, I.-H. Jung, CALPHAD 33 (2010) 744.
- (2010) CALPHAD , vol.33 , pp. 744
- Paliwal, M.¹ Jung, I.-H.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.