Stability of Ferromagnetism in Fe, Co, and Ni Metals under High Pressure with GGA and GGA+U

Mohammed, Yousif Shoaib; Yan, Yu; Wang, Hongxia; Li, Kai; Du, Xiaobo

doi:10.1016/j.jmmm.2009.10.033

Cited by 42 publications

(6 citation statements)

References 54 publications

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“…It was confirmed experimentally that the ferromagnetic fcc phase in nickel is stable up to the pressure of 48 GPa, 27 and theoretical density-functional theory calculations predict its stability at least up to 200 GPa. 28 Further, clean 5(210) GB and (210) FS exhibit some enhancement of the magnetic moment of nickel atoms (3-7% and 24%, respectively; see Fig. 2).…”

Section: Resultsmentioning

confidence: 90%

Magnetically dead layers atsp-impurity-decorated grain boundaries and surfaces in nickel

Všianská

Šob

2011

Phys. Rev. B

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With the help of ab initio electronic structure calculations, we study segregation of the sp elements from the 13th-16th group and the third, fourth, and fifth period of the Periodic Table (i.e., Al, Si, P, S, Ga, Ge, As, Se, In, Sn, Sb, and Te) at the 5(210) grain boundary (GB) and (210) free surface (FS) in fcc ferromagnetic nickel, and analyze the geometric configuration and the distribution of magnetic moments at the GB and FS without and with impurities. Whereas there is a slight enhancement of magnetization at the clean GB and FS with respect to bulk nickel (3-7% and 24%, respectively), most of these impurities nearly kill or substantially reduce the magnetic moments at the FS and, when segregating interstitially at the GB (i.e., Si, P, S, Ge, As, and Se), they produce magnetically dead layers at the boundary. We demonstrate that the existence of magnetically dead layers is a common phenomenon at the sp-impurity-decorated GB and FS in nickel. It is caused by a strong hybridization of sp states of the impurities with the d states of nickel and a redistribution of electron states in both majority and minority bands.

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Section: Resultsmentioning

confidence: 90%

Magnetically dead layers atsp-impurity-decorated grain boundaries and surfaces in nickel

Všianská

Šob

2011

Phys. Rev. B

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“…Fe is known to undergo a pressure-induced phase transition from the ferromagnetic body-centered cubic (bcc) α-phase to the nonmagnetic hexagonal-close-packed (hcp) ε-phase. [37,38] At room temperature and with the increasing of pressure, Fe exhibits phase transition at a pressure of ∼ 13 GPa. [10,16,39] Figure 3 shows the plotted signal curves during the experiment.…”

Section: Resultsmentioning

confidence: 99%

Magnetic transition of ferromagnetic material at high pressure using a novel system

Wang

Han

et al. 2013

Chinese Phys. B

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“…In terms of the stability of ferromagnetism, a close relation between the crystal structure and electronic states (as characterized by the band structures) has long been pointed out. 126) Intensive efforts were made, employing a number of theoretical approaches using differential functional theory calculations 127,128) and first-principle calculations [129][130][131][132][133] to explore new structural and magnetic phases at high pressures. Highpressure XMCD spectroscopy is an advantageous technique for investigating the entanglement between crystal structures, electronic states, and magnetism.…”

Section: Instrumentation With Diamond Anvil Cellsmentioning

confidence: 99%

“…Theoretical calculations predict that fcc Ni is the most stable structure over fcc or hcp structures, and the ferromagnetic fcc state is maintained even at pressures of 200 to 300 GPa. 127,148) The available pressure in XMCD experiments has been extended up to 200 GPa. 108) However, in Fig.…”

Section: Nimentioning

confidence: 99%

Recent Progress of the X-ray Magnetic Circular Dichroism Technique for Element-Specific Magnetic Analysis

Nakamura

Suzuki

2013

J. Phys. Soc. Jpn.

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Recent trend of the X-ray magnetic circular dichroism (XMCD) spectroscopy-based technique and the related scientific topics at SPring-8 are reviewed. At the third-generation synchrotron radiation facility, the key developments in the XMCD technique include i) significant improvements in the accuracy and sensitivity of XMCD measurements with a quick helicity switching of circularly polarized X-rays, ii) introduction of extreme conditions (strong pulsed magnetic field and high pressures), and iii) new experimental setup using the high-brilliance X-ray source (microfocusing, reflection geometry, and high-pressure cells). These achievements have effectively extended the capability of the XMCD technique, a unique magnetic probe with an element-specificity, providing fundamental scientific insights in spintronics and magnetic recording devices, magnetic nanoparticles, and magnetism under high-magnetic field and high pressures.KEYWORDS: X-ray magnetic circular dichroism, element specific magnetic hysteresis, synchrotron radiation X-rays Historical ReviewElement-specific magnetic measurements are widely recognized as a powerful experimental technique for the study of magnetic materials and have previously been exploited mainly by Mössbauer spectroscopy. For the last 30 years, an energy-tunable and polarized X-ray source at synchrotron radiation facilities has given rather expansive possibilities of element-specific magnetic measurements using X-ray spectroscopy. Indeed, X-ray magnetic circular dichroism (XMCD) spectroscopy 1,2) has become one of the leading techniques for element-specific magnetic measurement using a resonant effect in the core-shell absorption with circularly polarized X-ray photons.The XMCD effect was first observed at the Fe K edge in the hard-X-ray region in 1987 by Schütz et al.3) In their experiment, an XMCD spectrum of pure iron was obtained by reversing the direction of magnetic fields applied to a sample, and the circularly polarized X-rays were provided by the off-orbital radiation from a bending magnet (off-plane method).3) The recorded XMCD signal was quite small, of the order of ÁI=I $ 5 Â 10 À3 . Subsequently, XMCD spectra at the L 2;3 edges of rare-earth elements [4][5][6] and at the L 2;3 edges of 5d metals in some alloys with 3d transition metals were also reported. 7) XMCD measurements over a wide energy range that is similar to the extended X-ray absorption fine structure (EXAFS), called magnetic EXAFS, in Fe and Gd 3 Fe 5 O 12 showed a capability of analyses of local magnetic structures using dichroic effects. 8,9) In the soft-X-ray region, the first XMCD spectrum at the Ni L 2;3 edges in a Ni single crystal was reported by Chen et al. in 1990. 10) The circularly polarized soft X-rays were obtained by the off-plain method, similar to the previous XMCD measurement at the Fe K edge.3) The intensity of the observed XMCD signal was about 8% with respect to the resonant absorption, the so called white line, and was much larger than that recorded at the K edge. The strong XMCD value at the...

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Stability of Ferromagnetism in Fe, Co, and Ni Metals under High Pressure with GGA and GGA+U

Cited by 42 publications

References 54 publications

Magnetically dead layers atsp-impurity-decorated grain boundaries and surfaces in nickel

Magnetically dead layers atsp-impurity-decorated grain boundaries and surfaces in nickel

Magnetic transition of ferromagnetic material at high pressure using a novel system

Recent Progress of the X-ray Magnetic Circular Dichroism Technique for Element-Specific Magnetic Analysis

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