# Fileset [SM_CMS_VT_VP_HAXPES_v5.pdf](https://mdr.nims.go.jp/filesets/b765b274-0c4a-4f3d-ab27-207b092b49d3/download) ## Creator [Shigenori Ueda](https://orcid.org/0000-0001-9425-0614), [Yuichi Fujita](https://orcid.org/0000-0002-1798-1066), [Ivan Kurniawan](https://orcid.org/0000-0001-5419-0047), [Yuya Sakuraba](https://orcid.org/0000-0003-4618-9550), [Yoshio Miura](https://orcid.org/0000-0002-5605-5452) ## Rights ©2026 American Physical Society[In Copyright](http://rightsstatements.org/vocab/InC/1.0/) ## Other metadata [Temperature- and depth-dependent valence band electronic structures of half-metallic Co 2 MnSi studied by hard x-ray photoemission spectroscopy](https://mdr.nims.go.jp/datasets/57126d80-ab4b-46cb-a385-ff54106ee767) ## Fulltext 1 Supplemental Material Temperature- and depth-dependent valence band electronic structures of half-metallic Co2MnSi studied by hard x-ray photoemission spectroscopy Shigenori Ueda1,2,*, Yuichi Fujita3,4, †, Ivan Kurniawan3, Yuya Sakuraba3, and Yoshio Miura3,5,6 1Research Center for Electronic and Optical Materials, National Institute for Materials Science (NIMS), Tsukuba, Ibaraki 305-0044, Japan 2Synchrotron X-ray Station at SPring-8, NIMS, Sayo, Hyogo 679-5148, Japan 3Research Center for Magnetic and Spintronic Materials, NIMS, Tsukuba, Ibaraki 305-0047, Japan 4International Center for Young Scientists, NIMS, Tsukuba, Ibaraki 305-0047, Japan 5Graduate School of Engineering Science, Kyoto Institute of Technology, Sakyo-ku, Kyoto 606-8585, Japan 6Center for Spintronics Research Network, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531, Japan 2 FIG. S1. Schematic diagram of the experimental geometry of HAXPES measurements. See also Ref. [25]. The incidence angle of x-ray relative to the CMS(001) plane is indicated by q in the figure. 3 FIG. S2. Calculated spin-resolved partial densities of states (PDOSs) near the Fermi level of L21-ordered Co2MnSi (CMS) at temperatures (T) of 0 K (a)-(e) and 300 K (f)-(j). (k)-(o) PDOSs in the entire valence band region for (a)-(e). The PDOS data are obtained from Ref. [9]. 4 FIG. S3. (a)-(c) Experimental HAXPES spectra in the entire valence band (VB) region measured at T = 20 and 300 K for H-, V-, C-pol x-rays, respectively. An integrated-type background was subtracted in each experimental spectrum. (d)-(f) Simulated HAXPES spectra with using the PDOSs for H-, V-, and C-pol x-rays at T = 0 K. In the simulations, the cross-sections including the matrix element and photoelectron diffraction effects and the degree of x-ray polarization (PL or PC) for each polarization are taken into account. The experimental spectrum measured at T = 300 K for C-pol x-rays was taken from Ref. [20]. 5 FIG. S4. (a) Normalized Mn 2p3/2 core-level MCD profiles in HAXPES at T = 20 and 300 K for bulk (leff ~ 6.3 nm) and near-interface (leff ~2.0 nm). (b) Normalized Co 2p3/2 core-level MCD profiles in HAXPES at T = 20 and 300 K for bulk (leff ~ 6.3 nm) and near-interface (leff ~2.0 nm). The MCD profiles at T = 300 K were obtained from Ref. [20]. (a) (b) 6 Satellite structure in the Co 2p core-level HAXPES In this section, we consider the origin of the satellite structure, which is indicated by the red arrows, in the Co 2p HAXPES spectra shown in Figs. 1(a) and 1(b). The satellite in the 2p3/2 region shows a clear hump structure, while that in the 2p1/2 region is broadened by a shorter lifetime of the 2p1/2 core-hole than the 2p3/2 one. This hump structure has been commonly observed in Co-based Heusler alloys [47-50], but the origin of the hump structure is unclarified yet. As a possible origin of the satellite, shake-up transition and/or energy loss process in the photoemission final states has been mentioned in Refs. [47-50]. A similar satellite structure can be seen in the 2p core-level PES for metallic Ni (so-called 6-eV satellite), and has been interpreted by the charge transfer satellite in the photoemission final states for Ni metal [28]. In the case of the charge transfer satellite, the Ni 2p core-level magnetic dichroism in PES shows the positive-to-negative sign change in both the main and satellite structure in the 2p3/2 region and shows the opposite sign change in the 2p1/2 region [29-32]. As shown in Fig. 1(e), the sign of Co 2p MCD in HAXPES is positive (negative) in the 2p3/2 (2p1/2) region as indicated by the red arrows. No sign reversal in MCD in the 2p3/2 (2p1/2) satellite region strongly suggests that the origin of the hump in the Co 2p HAXPES for CMS is not due to the charge transfer satellite. In the case of the energy loss process as an origin of the hump, the hump is created by the energy loss replica of the main peak, and the MCD for the hump would also show the replica of MCD for the main peak. The shake-up process might give a replica of the main peak as a hump structure as well as the energy loss process. Therefore, the origin of the hump might be due to neither the shake-up nor energy loss process, which is confirmed by no sign reversal in MCD for the hump as seen in Fig. 1(e). We thus suspect that a possible origin of the hump in the Co 2p HAXPES spectra in CMS is the multiplet structures in the photoemission final states, since the multipets in the photoemission final states cannot be ignored for a metal with relatively localized 3d orbital. As seen in Figs. 1(c) and 1(d), the Mn 2p HAXPES spectra show the broad tails indicated 7 by the blue arrows in the higher EB side of the main peak in both the 2p3/2 and 2p1/2 regions. The sign of MCD in the broad tail is positive (negative) in the the 2p3/2 (2p1/2) region as shown in Fig. 1(f). In addition, the Fe 2p HAXPES spectra for the Fe thin films [33] also show a similar broad tail and a positive (negative) sign of MCD in the higher EB side of the 2p3/2 (2p1/2) main peak. These facts suggest the presence of the mutliplet states in the higher EB side of the main peak. For the Co 2p HAXPES, the hump is observed instead of the broad tails in the Mn and Fe 2p HAXPES probably due to the variations of multiplet states depending on the number of 3d electrons. To further discuss the origin of the hump in the Co 2p HAXPES, the theoretical approach, which correctly treats the band structure and the core-level photoemission final states for ferromagnetic metal systems, is required.