Rare-earth Metals and Compounds
DFT+U search for the energy minimum among eight collinear and noncollinear magnetic structures of GdB4
Abstract We have studied eight collinear and noncollinear magnetic orientations of GdB 4 using the GGA + U method, without and with spin-orbit…
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Transition Metal Compounds
FeS: Structure and Composition Relations to Superconductivity and Magnetism
Abstract: Structure and composition of iron chalcogenides have a delicate relationship with magnetism and superconductivity. In this report we i…
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Transition Metal Compounds
Resistivity and Magnetic Order in Ti2O3
L. L. Van Zandt 1 , J. M. Honig 1 and J. B. Goodenough 1 Abstract: Electrical resistivities of pure and vanadium‐doped single crystals of T…
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Transition Metal Compounds
First-Principles Calculations of the Structure and Magnetic Phases of FeAs2 Compound under Pressure
O. Sebaa , Y. Zaoui, K. O. Obodo, H. Bendaoud, L. Beldi and B. Bouhafs *Modeling and Simulation in Materials Science Laboratory …
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Magnetic Properties
Magnetism of iron: from the bulk to the monoatomic wire
Gabriel Autes, Cyrille Barreteau, Daniel Spanjaard, Marie-Catherine Desjonqueres Abstract The magnetic properties of iron (spin and orbital magne…
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Theories
First-Principles Theory of Ferromagnetic and Antiferromagnetic Order
L. Fritsche and B. Weimert Institut fuÈ r Theoretische Physik B, Technische UniversitaÈt Clausthal, D-38678 Clausthal-Zellerfeld, Germany (Rece…
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Transition Metal Compounds
Magnetic ordering in tetragonal FeS: Evidence for strong itinerant spin fluctuations
Kideok D. Kwon1*, Keith Refson2 , Sharon Bone3 , Ruimin Qiao4 , Wan-li Yang4 , Zhi Liu4 , and Garrison Sposito1,3 Abstract Mackinawite is a n…
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Monte Carlo Method
Theoretical study of the magnetic ordering in rareearth compounds with face-centered-cubic structure
Chun-gang Duan, Renat F. Sabirianov, Jianjun Liu, Wai-Ning Mei and Peter A. Dowben Abstract We present a detailed theoretical study of the mag…
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Transition Metal Compounds
First-principles study the electronic and structural properties of chromium arsenide
Bu-Sheng Wang, Kai-Cheng Zhang, Yong Liu Abstract: We systematically study chromium arsenide in various crystal structures in order to investiga…
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Magnetic Properties
Competition between ferromagnetism and antiferromagnetism in FePt
Abstract: FePt in the L10 ~tetragonal! phase is of interest due to its ease of synthesis as nanoparticles and because superparamagnetism is sup…
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Magneto-Structural Effects
Crystallographic aspects of L10 magnetic materials
Abstract: In this paper we present an overview of various features of the structure of L10 magnetic phase. We discuss the various microstructura…
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