Download

Full Text

Annexes

• M. Trenary, Surface science studies of metal hexaborides, Sci. Technol. Adv. Mater. 13, 023002 (2012) 10.1088/1468-6996/13/2/023002.
• J. T. Cahill and O. A. Graeve, Hexaborides: A review of structure, synthesis and processing, J. Mater. Res. Technol. 8, 6321 (2019) 10.1016/j.jmrt.2019.09.041.
• A. N. Broers, Some experimental and estimated characteristics of the lanthanum hexaboride rod cathode electron gun, J. Phys. E: Sci. Instrum. 2, 273 (1969) 10.1088/0022-3735/2/3/310.
• E. Sani, L. Mercatelli, M. Meucci, L. Zoli, and D. Sciti, Lanthanum hexaboride for solar energy applications, Sci. Rep. 7, 718 (2017) 10.1038/s41598-017-00749-w.
• X. H. Ji, Q. Y. Zhang, J. Q. Xu, and Y. M. Zhao, Rare-earth hexaborides nanostructures: Recent advances in materials, characterization and investigations of physical properties, Prog. Solid State Chem. 39, 51 (2011) 10.1016/j.progsolidstchem.2011.04.001.
• W. Wang, Y. Wang, M. Zhang, R. Wang, G. Chen, X. Chang, F. Lin, F. Wen, K. Jia, and H.-X. Wang, An enhancement-mode hydrogen-terminated diamond field-effect transistor with lanthanum hexaboride gate material, IEEE Electron Device Lett. 41, 585 (2020) 10.1109/LED.2020.2972330.
• S. V. Ramankutty, N. de Jong, Y. K. Huang, B. Zwartsenberg, F. Massee, T. V. Bay, M. S. Golden, and E. Frantzeskakis, Comparative study of rare earth hexaborides using high resolution angle-resolved photoemission, J. Electron. Spectrosc. Relat. Phenom. 208, 43 (2016) 10.1016/j.elspec.2015.11.009.
• W. A. C. Erkelens, L. P. Regnault, P. Burlet, J. Rossat-Mignod, S. Kunii, and T. Kasuya, Neutron scattering study of the antiferroquadrupolar ordering in (Equation presented) and (Equation presented), J. Magn. Magn. Mater. 63, 61 (1987) 10.1016/0304-8853(87)90522-1.
• A. S. Cameron, G. Friemel, and D. S. Inosov, Multipolar phases and magnetically hidden order: Review of the heavy-fermion compound (Equation presented), Rep. Prog. Phys. 79, 066502 (2016) 10.1088/0034-4885/79/6/066502.
• S. Süllow, I. Prasad, M. C. Aronson, J. L. Sarrao, Z. Fisk, D. Hristova, A. H. Lacerda, M. F. Hundley, A. Vigliante, and D. Gibbs, Structure and magnetic order of (Equation presented), Phys. Rev. B 57, 5860 (1998) 10.1103/PhysRevB.57.5860.
• L. Degiorgi, L. E. Felder, H. R. Ott, J. L. Sarrao, and Z. Fisk, Low-Temperature Anomalies and Ferromagnetism in (Equation presented), Phys. Rev. Lett. 79, 5134 (1997) 10.1103/PhysRevLett.79.5134.
• J. Ying, L. Tang, F. Chen, X. Chen, and V. V. Struzhkin, Coexistence of metallic and insulating channels in compressed (Equation presented), Phys. Rev. B 97, 121101 (R) (2018) 10.1103/PhysRevB.97.121101.
• E. Beaurepaire, J. P. Kappler, and G. Krill, X-ray-absorption near-edge structure study in mixed-valent samarium systems, Phys. Rev. B 41, 6768 (1990) 10.1103/PhysRevB.41.6768.
• J. Demsar, V. K. Thorsmølle, J. L. Sarrao, and A. J. Taylor, Photoexcited Electron Dynamics in Kondo Insulators and Heavy Fermions, Phys. Rev. Lett. 96, 037401 (2006) 10.1103/PhysRevLett.96.037401.
• A. P. Sakhya and K. Maiti, Ground state anomalies in (Equation presented), Sci. Rep. 10, 1262 (2020) 10.1038/s41598-020-58172-7.
• S.-K. Mo, G.-H. Gweon, J. D. Denlinger, H.-D. Kim, J. W. Allen, C. G. Olson, H. Hochst, J. L. Sarrao, and Z. Fisk, ARPES study of X-point band overlaps in (Equation presented) and (Equation presented)-Contrast to (Equation presented) and (Equation presented), Phys. B (Amsterdam, Neth.) 312, 668 (2002) 10.1016/S0921-4526(01)01291-1.
• C.-J. Kang, J. Kim, K. Kim, J. Kang, J. D. Denlinger, and B. I. Min, Band symmetries of mixed-valence topological insulator: (Equation presented), J. Phys. Soc. Jpn. 84, 024722 (2015) 10.7566/JPSJ.84.024722.
• M. Neupane, N. Alidoust, S.-Y. Xu, T. Kondo, Y. Ishida, D. J. Kim, Chang Liu, I. Belopolski, Y. J. Jo, T.-R. Chang, H.-T. Jeng, T. Durakiewicz, L. Balicas, H. Lin, A. Bansil, S. Shin, Z. Fisk, and M. Z. Hasan, Surface electronic structure of the topological Kondo-insulator candidate correlated electron system (Equation presented), Nat. Commun. 4, 2991 (2013) 10.1038/ncomms3991.
• A. Arab, A. X. Gray, S. Nemšák, D. V. Evtushinsky, C. M. Schneider, D.-J. Kim, Z. Fisk, P. F. S. Rosa, T. Durakiewicz, and P. S. Riseborough, Effects of spin excitons on the surface states of (Equation presented) A photoemission study, Phys. Rev. B 94, 235125 (2016) 10.1103/PhysRevB.94.235125.
• P. G. Perkins, D. R. Armstrong, and A. Breeze, On the electronic structure of some metal hexaborides, J. Phys. C: Solid State Phys. 8, 3558 (1975) 10.1088/0022-3719/8/21/026.
• S. Kimura, T. Nanba, M. Tomikawa, S. Kunii, and T. Kasuya, Electronic structure of rare-earth hexaborides, Phys. Rev. B 46, 12196 (1992) 10.1103/PhysRevB.46.12196.
• Z. Pan, Y. Pan, J. Jiang, and L. Zhao, High-throughput electronic band structure calculations for hexaborides, in Intelligent Computing: Proceedings of the 2019 Computing Conference (Springer International Publishing, 2019), Vol. 2, pp. 386-395.
• J. A. Alarco, P. C. Talbot, and I. D. R. Mackinnon, Comparison of functionals for metal hexaboride band structure calculations, Model Numeri. Simul. Mater. Sci. 4, 53 (2014) 10.4236/mnsms.2014.42008.
• F. J. Himpsel, Angle-resolved measurements of the photoemission of electrons in the study of solids, Adv. Phys. 32, 1 (1983) 10.1080/00018738300101521.
• A. Damascelli, Z. Hussain, and Z.-X. Shen, Angle-resolved photoemission studies of the cuprate superconductors, Rev. Mod. Phys. 75, 473 (2003) 10.1103/RevModPhys.75.473.
• D. L. Feng, Photoemission spectroscopy: Deep into the bulk, Nat. Mater. 10, 729 (2011) 10.1038/nmat3126.
• K. Kobayashi, Hard x-ray photoemission spectroscopy, Nucl. Instrum. Methods Phys. Res. A 601, 32 (2009) 10.1016/j.nima.2008.12.188.
• C. S. Fadley and S. Nemsak, Some future perspectives in soft-and hard-X-ray photoemission, J Electron Spectros. Relat. Phenom. 195, 409 (2014) 10.1016/j.elspec.2014.06.004.
• A. X. Gray, C. Papp, S. Ueda, B. Balke, Y. Yamashita, L. Plucinski, J. Minár, J. Braun, E. R. Ylvisaker, C. M. Schneider, W. E. Pickett, H. Ebert, K. Kobayashi, and C. S. Fadley, Probing bulk electronic structure with hard X-ray angle-resolved photoemission, Nat. Mater. 10, 759 (2011) 10.1038/nmat3089.
• S. Nemšák, M. Gehlmann, C.-T. Kuo, S.-C. Lin, C. Schlueter, E. Mlynczak, T.-L. Lee, L. Plucinski, H. Ebert, I. Di Marco, J. Minár, C. M. Schneider, and C. S. Fadley, Element-and momentum-resolved electronic structure of the dilute magnetic semiconductor manganese doped gallium arsenide, Nat. Commun. 9, 3306 (2018) 10.1038/s41467-018-05823-z.
• A. Keqi, M. Gehlmann, G. Conti, S. Nemšák, A. Rattanachata, J. Minár, L. Plucinski, J. E. Rault, J. P. Rueff, M. Scarpulla, M. Hategan, G. K. Pálsson, C. Conlon, D. Eiteneer, A. Y. Saw, A. X. Gray, K. Kobayashi, S. Ueda, O. D. Dubón, C. M. Schneider, and C. S. Fadley, Electronic structure of the dilute magnetic semiconductor (Equation presented) from hard x-ray photoelectron spectroscopy and angle-resolved photoemission, Phys. Rev. B 97, 155149 (2018) 10.1103/PhysRevB.97.155149.
• See Supplemental Material at http://link.aps.org/supplemental/10.1103/PhysRevMaterials.5.055002 for additional ARPES data (SM-1); relative angular shift of the band structure features with respect to the x-ray photoelectron diffraction pattern (SM-2); free electron final state calculations (SM-3); phonon band structure of (Equation presented) (SM-4).
• S. Ueda, Y. Katsuya, M. Tanaka, H. Yoshikawa, Y. Yamashita, S. Ishimaru, Y. Matsushita, and K. Kobayashi, Present Status of the NIMS Contract Beamline BL15XU at SPring-8, in SRI 2009, 10th International Conference on Radiation Instrumentation, edited by R. Garrett, I. Gentle, K. Nugent, and S. Wilkins, AIP Conf. Proc. No. 1234 (AIP, Melville, NY, 2010), pp. 403-406.
• B. L. Henke, E. M. Gullikson, and J. C. Davis, X-ray interactions: Photo-absorption, scattering, transmission and reflection at (Equation presented), Atomic Data Nucl. Data Tables 54, 181 (1993) 10.1006/adnd.1993.1013.
• H. Shinotsuka, S. Tanuma, C. J. Powell, and D. R. Penn, Calculations of electron inelastic mean free paths. X. Data for 41 elemental solids over the 50 eV to 200 keV range with the relativistic full Penn algorithm, Surf. Interface Anal. 47, 871 (2015) 10.1002/sia.5789.
• N. N. Sirota, V. V. Novikov, V. A. Vinokurov, and Yu. B. Paderno, Temperature dependence of the heat capacity and lattice constant of lanthanum and samarium hexaborides, Phys. Solid. State 40, 1856 (1998) 10.1134/1.1130671.
• A. Rattanachata, Bulk electronic structure of rare-earth hexaboride by hard x-ray angle-resolved photoemission spectroscopy, Ph.D. thesis, University of California Davis, 2021.
• H. Ebert, D. Koedderitzsch, and J. Minár, Calculating condensed matter properties using the KKR-Green's function method-recent developments and applications, Rep. Prog. Phys. 74, 096501 (2011) 10.1088/0034-4885/74/9/096501.
• J. Braun, J. Minár, S. Mankovsky, V. N. Strocov, N. B. Brookes, L. Plucinski, C. M.Schneider, C. S. Fadley, and H. Ebert, Exploring the XPS limit in soft and hard x-ray angle-resolved photoemission using a temperature-dependent one-step theory, Phys. Rev. B 88, 205409 (2013) 10.1103/PhysRevB.88.205409.
• H. Ebert, S. Mankovsky, K. Chadova, S. Polesya, J. Minár, and D. Ködderitzsch, Calculating linear-response functions for finite temperatures on the basis of the alloy analogy model, Phys. Rev. B 91, 165132 (2015) 10.1103/PhysRevB.91.165132.
• L. Nicolai and J. Minar, XPS limit in soft X-ray photoemission spectroscopy of Ag(001), in Applied Physics of Condensed Matter (APCOM 2018), AIP Conf. Proc. No. 1996, edited by J. Sitek, J. Vaida, and I. Jamnicky, (AIP, Melville, NY, 2018), p. 020033.
• X. Gonze, First-principles responses of solids to atomic displacements and homogeneous electric fields: Implementation of a conjugate-gradient algorithm, Phys. Rev. B 55, 10337 (1997) 10.1103/PhysRevB.55.10337.
• X. Gonze and C. Lee, Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory, Phys. Rev. B 55, 10355 (1997) 10.1103/PhysRevB.55.10355.
• S. Baroni, S. de Gironcoli, A. Dal Corso, and P. Giannozzi, Phonons and related crystal properties from density-functional perturbation theory, Rev. Mod. Phys. 73, 515 (2001) 10.1103/RevModPhys.73.515.
• A. H. Romero, D. C. Allan, B. Amadon, G. Antonius, T. Applecourt, L. Baguet, J. Bieder, F. Bottin, J. Bouchet, E. Bousquet, F. Bruneval, G. Brunin, D. Caliste, M. Côté, J. Denier, C. Dreyer, P. Ghosez, M. Giantomassi, Y. Gillet, O. Gingras, ABINIT: Overview and focus on selected capabilities, J. Chem. Phys. 152, 124102 (2020) 10.1063/1.5144261.
• D. R. Hamann, Optimized norm-conserving Vanderbilt pseudopotentials, Phys. Rev. B 88, 085117 (2013) 10.1103/PhysRevB.88.085117.
• J. P. Perdew, K. Burke, and M. Ernzerhof, Generalized Gradient Approximation Made Simple, Phys. Rev. Lett. 77, 3865 (1996) 10.1103/PhysRevLett.77.3865.
• W. Smekal, W. S. M. Werner, and C. J. Powell, Simulation of electron spectra for surface analysis (SESSA): A novel software tool for quantitative Auger-electron spectroscopy and x-ray photoelectron spectroscopy, Surf. Interface Anal. 37, 1059 (2005) 10.1002/sia.2097.
• M. F. Sunding, K. Hadidi, S. Diplas, O. M. Løvvik, T. E. Norby, and A. E. Gunnæs, XPS characterisation of in situ treated lanthanum oxide and hydroxide using tailored charge referencing and peak fitting procedures, J. Electron Spectrosc. Relat. Phenom. 184, 399 (2011) 10.1016/j.elspec.2011.04.002.
• C. L. Perkins, M. Trenary, T. Tanaka, and S. Otani, X-ray photoelectron spectroscopy investigation of the initial oxygen adsorption sites on the (Equation presented) (100) surface, Surf. Sci. 423, L222 (1999) 10.1016/S0039-6028(98)00936-4.
• M. Belyansky and M. Trenary, Boron chemical shifts in (Equation presented), Surf. Sci. Spectra 3, 147 (1995) 10.1116/1.1247776.
• N. Mannella, A. Rosenhahn, A. Nambu, B. C. Sell, B. S. Mun, S.-H. Yang, S. Marchesini, M. Watanabe, K. Ibrahim, S. B. Ritchey, Y. Tomioka, and C. S. Fadley, Surface characterization of colossal magnetoresistive manganites (Equation presented) using photoelectron spectroscopy, J. Electron Spectrosc. Relat. Phenom. 153, 37 (2006) 10.1016/j.elspec.2006.06.003.
• A. M. Kaiser, A. X. Gray, G. Conti, B. Jalan, A. P. Kajdos, A. Gloskovskii, S. Ueda, Y. Yamashita, K. Kobayashi, W. Drube, S. Stemmer, and C. S. Fadley, Electronic structure of delta-doped (Equation presented) layers by hard x-ray photoelectron spectroscopy, Appl. Phys. Lett. 100, 261603 (2012) 10.1063/1.4731642.
• A. Kotani, M. Okada, T. Jo, A. Bianconi, A. Marcelli, and J. C. Parlebas, Many body effect in inner shell photoemission and photoabsorption spectra of La compounds, J. Phys. Soc. Jpn. 56, 798 (1987) 10.1143/JPSJ.56.798.
• J. C. Fuggle, F. U. Hillebrecht, Z. Zołnierek, R. Lässer, Ch. Freiburg, O. Gunnarsson, and K. Schönhammer, Electronic structure of Ce and its intermetallic compounds, Phys. Rev. B 27, 7330 (1983) 10.1103/PhysRevB.27.7330.
• S. Hüfner, Photoelectron Spectroscopy, Principles and Applications, 3rd ed. (Springer, Saarbrucken, 2003).
• F. de Groot and A. Kotani, Core Level Spectroscopy of Solids (CRC Press, New York, 2008).
• W.-Y. Howng and R. J. Thorn, The multicomponent structure of the 4d orbital in X-ray photoelectron spectra of the lanthanum(III) ion, Chem. Phys. Lett. 56, 463 (1978) 10.1016/0009-2614(78)89016-2.
• A Kotani and Y. Toyozawa, Photoelectron spectra of core electrons in metals with an incomplete shell, J. Phys. Soc. Jpn. 37, 912 (1974) 10.1143/JPSJ.37.912.
• J. Zaanen, C. Westra, and G. A. Sawatzky, Determination of the electronic structure of transition-metal compounds: 2p x-ray photoemission spectroscopy of the nickel dihalides, Phys. Rev. B 33, 8060 (1986) 10.1103/PhysRevB.33.8060.
• R. D. Cowan, The Theory of Atomic Structure and Spectra (University of California Press, Berkeley, 1981).
• M. W. Haverkort, Quanty for core level spectroscopy-excitons, resonances and band excitations in time and frequency domain, J. Phys. Conf. Ser. 712, 012001 (2016) 10.1088/1742-6596/712/1/012001.
• Y. Kayanuma, in Hard X-ray Photoelectron Spectroscopy (HAXPES), edited by J. Woicik, (Springer, New York, 2016), Vol. 8, pp. 175-195.
• S. Suga, A. Sekiyama, H. Fujiwara, Y. Nakatsu, T. Miyamachi, S. Imada, P. Baltzer, S. Niitaka, H. Takagi, K. Yoshimura, M. Yabashi, K. Tamasaku, A. Higashiya, and T. Ishikawa, Do all nuclei recoil on photoemission in compounds? New J. Phys. 11, 073025 (2009) 10.1088/1367-2630/11/7/073025.
• C. P. Flynn, Phonon Broadening of Deep Excitations in Metals, Phys. Rev. Lett. 37, 1445 (1976) 10.1103/PhysRevLett.37.1445.
• W. Domcke and L. Cederbaum, Electronic recoil effects in high-energy photoelectron spectroscopy, J. Electron Spectrosc. Relat. Phenom. 13, 161 (1978) 10.1016/0368-2048(78)85024-5.
• Y. Takata, Y. Kayanuma, M. Yabashi, K. Tamasaku, Y. Nishino, D. Miwa, Y. Harada, K. Horiba, S. Shin, S. Tanaka, E. Ikenaga, K. Kobayashi, Y. Senba, H. Ohashi, and T. Ishikawa, Recoil effects of photoelectrons in a solid, Phys. Rev. B 75, 233404 (2007) 10.1103/PhysRevB.75.233404.
• Y. Takata, Y. Kayanuma, S. Oshima, S. Tanaka, M. Yabashi, K. Tamasaku, Y. Nishino, M. Matsunami, R. Eguchi, A. Chainani, M. Oura, T. Takeuchi, Y. Senba, H. Ohashi, S. Shin, and T. Ishikawa, Recoil Effect of Photoelectrons in The Fermi Edge of Simple Metals, Phys. Rev. Lett. 101, 137601 (2008) 10.1103/PhysRevLett.101.137601.
• Z. Boekelheide, A. X. Gray, C. Papp, B. Balke, D. A. Stewart, S. Ueda, K. Kobayashi, F. Hellman, and C. S. Fadley, Band Gap and Electronic Structure of an Epitaxial, Semiconducting (Equation presented) Thin Film, Phys. Rev. Lett. 105, 236404 (2010) 10.1103/PhysRevLett.105.236404.
• D. A. Shirley, High-resolution x-ray photoemission spectrum of the valence bands of gold, Phys. Rev. B 5, 4709 (1972) 10.1103/PhysRevB.5.4709.
• M. M. Korsukova, T. Lundstrom, L.-E. Tergenius, and V. N. Gurin, The X-ray debye temperature of (Equation presented), Solid State Commun. 63, 187 (1987) 10.1016/0038-1098(87)90837-4.
• C. S. Fadley, Looking deeper: Angle-resolved photoemission with soft and hard X-rays, Synchrotron Radiat. News 25, 26 (2012) 10.1080/08940886.2012.720165.
• A. X. Gray, J. Minár, S. Ueda, P. R. Stone, Y. Yamashita, J. Fujii, J. Braun, L. Plucinski, C. M. Schneider, G. Panaccione, H. Ebert, O. D. Dubon, K. Kobayashi, and C. S. Fadley, Bulk electronic structure of the dilute magnetic semiconductor (Equation presented) through hard X-ray angle-resolved photoemission, Nat. Mater. 11, 957 (2012) 10.1038/nmat3450.
• C. Papp, L. Plucinski, J. Minár, J. Braun, H. Ebert, C. M. Schneider, and C. S. Fadley, Band mapping in x-ray photoelectron spectroscopy: An experimental and theoretical study of W(110) with 1.25 keV excitation, Phys. Rev. B 84, 045433 (2011) 10.1103/PhysRevB.84.045433.
• X. Guo-Liang, C. Jing-Dong, X. Yao-Zheng, L. Xue-Feng, L. Yu-Fang, and Z. Xian-Zhou, First-principles calculations of elastic and thermal properties of lanthanum hexaboride, Chin. Phys. Lett. 26, 056201 (2009) 10.1088/0256-307X/26/5/056201.
• D. Liebowitz and N. J. Shevchik, Free-electron final-state model and angle-resolved photoemission from a Ag(111) surface, Phys. Rev. B 17, 3825 (1978) 10.1103/PhysRevB.17.3825.
• L. Plucinski, J. Minár, B. C. Sell, J. Braun, H. Ebert, C. M. Schneider, and C. S. Fadley, Band mapping in higher-energy X-ray photoemission: Phonon effects and comparison to one step theory, Phys. Rev. B 78, 035108 (2008) 10.1103/PhysRevB.78.035108.
• J. Minár, J. Braun, and H. Ebert, Recent developments in the theory of HARPES, J. Electron. Spectrosc. Relat. Phenom. 190, 159 (2013) 10.1016/j.elspec.2012.10.003.
• A. Hasegawa and A. Yanase, Energy band structure and Fermi surface of LaB, by a self-consistent APW method, J. Phys. F: Metal Phys. 7, 1245 (1977) 10.1088/0305-4608/7/7/023.