LaB6 Work Function and Structural Stability under High Pressure
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Abstract
The work functions of the (110) and (100) surfaces of LaB6 are determined from ambient pressure to 39.1 GPa. The work function of the (110) surface slowly decreases but that of the (100) surface remains at a relatively constant value. To determine the reason for this difference, the electron density distribution (EDD) is determined from high-pressure single-crystal x-ray diffraction data by the maximum entropy method. The EDD results show that the chemical bond properties in LaB6 play a key role. The structural stability of LaB6 under high pressure is also investigated by single-crystal x-ray diffraction. In this study, no structural or electronic phase transition is observed from ambient pressure to 39.1 GPa. -
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References
[1] Uijttewaal M A, de Wijs G A and de Groot R A 2006 J. Phys. Chem. B 110 18459 doi: 10.1021/jp063347i[2] Late D J, More M A, Joag D S, Misra P, Singh B and Kukreja L M 2006 Appl. Phys. Lett. 89 123510 doi: 10.1063/1.2337999[3] Tanaka T, Yoshimoto J, Ishii M, Bannai E and Kawai S 1977 Solid State Commun. 22 203 doi: 10.1016/0038-10987790272-1[4] Lundstrom T, Lonnberg B, Torma B, Etourneau J and Tarascon J M 1982 Phys. Scr. 26 414 doi: 10.1088/0031-8949/26/5/012[5] Nakamura S, Goto T, Kasaya M and Kunii S 1991 J. Phys. Soc. Jpn. 60 4311 doi: 10.1143/JPSJ.60.4311[6] Teredesai P, Muthu D V S, Chandrabhas N, Meenakshi S, Vijayakumar V, Modak P, Rao R S, Godwal B K, Sikka S K and Sood A K 2004 Solid State Commun. 129 791 doi: 10.1016/j.ssc.2003.12.041[7] Baranovskiy A E, Grechnev G E, Fil V D, Ignatova T V, Logosha A V, Panfilov A S, Svechkarev I V, Shitsevalova N Y, Filippov V B and Eriksson O 2007 J. Alloys Compd. 442 228 doi: 10.1016/j.jallcom.2006.07.142[8] Gürel T and Eryiğit R 2010 Phys. Rev. B 82 104302 doi: 10.1103/PhysRevB.82.104302[9] Xu G, Chen J, Xia Y, Liu X, Liu Y and Zhang X 2009 Chin. Phys. Lett. 26 056201 doi: 10.1088/0256-307X/26/5/056201[10] Hasegawa A and Yanase A 1977 J. Phys. F 7 1245 doi: 10.1088/0305-4608/7/7/023[11] Kubo Y and Asano S 1989 Phys. Rev. B 39 8822 doi: 10.1103/PhysRevB.39.8822[12] Hossain F M, Riley D P and Murch G E 2005 Phys. Rev. B 72 235101 doi: 10.1103/PhysRevB.72.235101[13] Bai L, Ma N and Liu F 2009 Physica B 404 4086 doi: 10.1016/j.physb.2009.07.189[14] Duan J, Zhou T, Zhang L, Du J, Jiang G and Wang H 2015 Chin. Phys. B 24 096201 doi: 10.1088/1674-1056/24/9/096201[15] Kasai H and Nishibori E 2017 Sci. Rep. 7 41375 doi: 10.1038/srep41375[16] Chao L, Bao L, Wei W, O T and Zhang Z 2016 J. Alloys Compd. 672 419 doi: 10.1016/j.jallcom.2016.02.179[17] Godwal B, Petruska E, Speziale S, Yan J, Clark S, Kruger M and Jeanloz R 2009 Phys. Rev. B 80 172104 doi: 10.1103/PhysRevB.80.172104[18] Collins D M 1982 Nature 298 49 doi: 10.1038/298049a0[19] Casati N, Kleppe A, Jephcoat A P and Macchi P 2016 Nat. Commun. 7 10901 doi: 10.1038/ncomms10901[20] Li R, Liu J, Bai L, Tse J S and Shen G 2015 Appl. Phys. Lett. 107 072109 doi: 10.1063/1.4929368[21] Tse J S, Hanfland M, Flacau R, Desgreniers S, Li Z, Mende K, Gilmore K, Nyrow A, Moretti Sala M and Sternemann C 2014 J. Phys. Chem. C 118 1161 doi: 10.1021/jp408666q[22] Li X, Li H and Li P 2017 Acta Phys. Sin. 66 036203 in Chinese[23] Li X, Li H, Li P, Li R, Liu J, Li Y and Cui W 2017 J. Synchrotron Rad. 24 699 doi: 10.1107/S1600577517003393[24] Mao H K, Xu J and Bell P M 1986 J. Geophys. Res.: Solid Earth 91 4673 doi: 10.1029/JB091iB05p04673[25] Li H, Li X, He M, Li Y, Liu J, Shen G and Zhang Z 2013 J. Appl. Crystallogr. 46 387 doi: 10.1107/S0021889812051886[26] Sheldrick G M 2008 Acta Crystallogr. Sect. A 64 112 doi: 10.1107/S0108767307043930[27] Birch F 1947 Phys. Rev. 71 809 doi: 10.1103/PhysRev.71.809[28] Li H, He M, Li J, Chen X and Zhang Z unpublished work[29] de Vries R Y, Briels W J and Feil D 1996 Phys. Rev. Lett. 77 1719 doi: 10.1103/PhysRevLett.77.1719[30] van S and Netzel J 2009 Phys. Scr. 79 048304 doi: 10.1088/0031-8949/79/04/048304[31] Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865 doi: 10.1103/PhysRevLett.77.3865[32] Gong H R, Nishi Y and Cho K 2007 Appl. Phys. Lett. 91 242105 doi: 10.1063/1.2821225[33] Yutani A, Kobayashi A and Kinbara A 1993 Appl. Surf. Sci. 70-71 737 doi: 10.1016/0169-43329390612-F[34] Swanson L W and Dickinson T 1976 Appl. Phys. Lett. 28 578 doi: 10.1063/1.88597[35] Nishitani R, Aono M, Tanaka T, Oshima C, Kawai S, Iwasaki H and Nakamura S 1980 Surf. Sci. 93 535 doi: 10.1016/0039-60288090281-2[36] Zhang H, Tang J, Yuan J, Ma J, Shinya N, Nakajima K, Murakami H, Ohkubo T and Qin L C 2010 Nano Lett. 10 3539 doi: 10.1021/nl101752z[37] Monnier R and Delley B 2004 Phys. Rev. B 70 193403 doi: 10.1103/PhysRevB.70.193403 -
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