Tetragonal Structures
First-Principles Calculations of the Electronic Structure of Tetragonal alpha-FeTe and alpha-FeSe Crystals: Evidence for a Bicollinear Antiferromagnetic Order
Abstract: By the first-principles electronic structure calculations, we find that the ground state of PbO-type tetragonal-FeTe is in a …
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Transition Metal Compounds
Doping evoluton of antiferromagnetic order and structural distortion in LaFeAsO1−xFx
We use neutron scattering to study the structural distortion and antiferromagnetic (AFM) order in LaFeAsO1−xFx as the system is doped with fluorine…
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Thermodynamic Properties
Pressure-induced structural transition and thermodynamic properties of RhN2 and the effect of metallic bonding on its hardness
Liu Jun (刘 俊) a), Kuang Xiao-Yu (邝小渝) a)† , Wang Zhen-Hua (王振华) a), and Huang Xiao-Fen(黄肖芬) b) a)Institute of Atomic and Molecular Physics, Sichu…
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Wien2k Code
DFT Calculation for Elastic Constants of Tetragonal Structure of Crystalline Solids with WIEN2k Code: A New Package (Tetra-elastic)
A. H. Reshak 1,2,* , Morteza Jamal 3 Abstract: Tetra-elastic is a new package for calculating the elastic constants of tetragonal struc…
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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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Transition Metal Compounds
Tetragonal low-temperature phase of MgCr2O4
Magnesiumchromite, MgCr2O4 , undergoes a structural transition from a cubic spinel structure @space group Fd3 ¯m, a58.32768(4) Å at 16 K# into a…
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Transition Metal Compounds
Helimagnetic structure of YMn2 observed by means of nuclear magnetic resonance and neutron diffraction
H Nakamura1,3, N Metoki2, S Suzuki1, F Takayanagi1,4 and M Shiga1 1 Department of Materials Science and Engineering, Kyoto University 606-8501, Jap…
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Transition Metal Compounds
Low-Temperature Structure and Magnetic Properties of the Spinel LiMn2O4: A Frustrated Antiferromagnet and Cathode Material
A. S. Wills, N. P. Raju, and J. E. Greedan* Brockhouse Institute for Materials Research, McMaster University, 1280 Main Street West, Hamilton, On…
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Tetragonal Structures
MAGNETICALLY INDUCED TETRAGONAL LATTICE DISTORTION IN ANTIFERROMAGNETIC fee Mn
Tamio OGUCHI Department of Physics and Astronomy, Northwestern University, Evanston, IL 60201, USA and A.J. FREEMAN Department of Physics …
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Tetragonal Structures
Structural distortion below the Néel temperature in spinel GeCo2O4
Phillip T. Barton, Moureen C. Kemei,∗ Michael W. Gaultois, Stephanie L. Moffitt, Lucy E. Darago, and Ram Seshadri† Materials Department and Materia…
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Tetragonal Structures
Actinide pnictides and chalcogenides. IV. X-ray search for tetragonal distortion in UN and UAs in the antiferromagnetic state
Abstract . A single crystal of UN was studied at low temperatures by x-ray diffraction, Below the Nee1 temperature (- 55 K) a …
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Tetragonal Structures
Anomalous Suppression of the Orthorhombic Lattice Distortion in Superconducting BaðFe1 xCoxÞ2As2 Single Crystals
Abstract High-resolution x-ray diffraction measurements reveal an unusually strong response of the lattice to superconductivity in BaðFe1 xCoxÞ2…
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Tetragonal Structures
Antiferromagnetism in La2CuO4-y
Abstract Powder neutron diffraction studies of undoped La2Cu04 —~ have revealed new superlattice peaks below =220 K. The absence of correspondin…
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Transition Metal Compounds
Magnetic ordering and electronic structure of the ternary iron arsenide BaFe2As2
Abstract : In this paper, we report structural parameters, magnetic ordering and the electronic structure of the tetragonal and orthorhombic ter…
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Tetragonal Structures
Magnetic structure map for face-centered tetragonal iron: Appearance of a collinear spin structure
Abstract: For fcc and tetragonal distorted fct iron a large number of magnetic configurations as a function of crystal structural parameters wer…
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Tetragonal Structures
LATTICE ANISOTROPY IN ANTIFERROMAGNETIC CHROMIUM*
Abstract: Thermal expansion and magnetostriction measurements on single-Q single-crystal chromium give the lattice parameter ratios in the ortho…
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Transition Metal Compounds
Structure and magnetic properties of MnN, CrN, and VN under volume expansion
Abstract Using a first principles density functional method, we studied how the structure and the magnetic properties of the early transition me…
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Transition Metal Compounds
Electronic and magnetic properties of 3d transition-metal selenides from first principles
Abstract: We have studied the electronic and magnetic properties of the PbO-type 3d transition-metal selenides (TMSes) by first principles cal…
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Transition Metal Compounds
First-principles study of the structural stability of Mn3Z (Z=Ga, Sn and Ge) Heusler compounds
Abstract: We investigate the structural stability and magnetic properties of cubic, tetragonal and hexagonal phases of Mn3Z (Z=Ga, Sn and Ge) He…
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Tetragonal Structures
Pressure-induced phase transformations of LiGaO2: First principles study
Wutthigrai Sailuam a , b , c , , Kanoknan Sarasamak d , Miguel Angel Mendez Polanco e , Sukit Limpijumnong a , b , c , a School of …
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