Transition Metal Compounds
Ab Initio Calculations on Structural, Electronic and Optical Properties of ZnO in Wurtzite Phase
Abstract: Self-consistent ab initio calculations are performed on the structural, electronic and optical properties of wurtzite ZnO. The Full Po…
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Transition Metal Compounds
Electronic Band Structure and Magnetism of NiAs-Type Compounds
Abstract Theoretical results on the basis of the itinerant electron picture for the NiAs- (MnP)-type compounds are shown. In Sects. 1.1 and 1.2, w…
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Transition Metal Compounds
Electronic band structures of NiAs-type compounds. I. Nonmagnetic state
Abstract Electronic band structures of several transition-metal pnictides and chalcogenides, MnAs, MnSb, CrAs, CrSb, VS and TiSe, having the NiAs…
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Non Bulk Structures
Ab initio calculations of indium arsenide in the wurtzite phase: structural, electronic and optical properties
Abstract Most III–V semiconductors, which acquire the zinc-blende phase as bulk materials, adopt the metastable wurtzite phase when grown in the …
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Transition Metal Compounds
Energy Bands of Hexagonal NiS
J. M. Tyler and J. L. Fry Phys. Rev. B 1 , 4604 – Published 15 June 1970 ABSTRACT Energy bands are calculated for hexagonal NiS using latti…
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Transition Metal Compounds
Structural, magnetic, and electronic properties of iron selenide Fe6-7Se8 nanoparticles obtained by thermal decomposition in high-temperature organic solvents
Abstract: Iron selenide nanoparticles with the NiAs-like crystal structure were synthesized by thermal decomposition of iron chloride and seleni…
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Hexagonal Structures
Defect evolution during the phase transition of hexagonal nickel sulfide studied by positron annihilation spectroscopy
Abstract: The defect structures of the hexagonal nickel sulfide with different Ni contents (Ni1 ΔS) have been investigated mainly by the positron a…
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Intermetallic Compounds
Crystal structure and hydrogenation properties of the hexagonal Dy2M17 and Dy2M17Cx (M = Fe, Co, Ni; x < 0.5) compounds
Volodymyr LEVYTSKYY1 *, Volodymyr BABIZHETSKYY1 , Oksana MYAKUSH1 , Bogdan KOTUR1 , Ihor KOVAL’CHUK 1 Department of Inorganic Chemistry, Ivan Frank…
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Transition metal Elements
Ferromagnetism in hexagonal-close-packed elements
D. A. Papaconstantopoulos, J. L. Fry, and N. E. Brener Phys. Rev. B 39 , 2526 – Published 1 February 1989 ABSTRACT The Stoner theory of fer…
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Hexagonal Structures
Elastic Constants of Hexagonal BeO, ZnS, and CdSe
Abstract: The elastic moduli of hexagonal beryllium oxide, zinc sulfide, and cadmium selenide at 25°C have been determined by measuring ultrason…
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Hexagonal Structures
Elastic Constants of Single-Crystal BeO at Room Temperature
Abstract: The five elastic constants of single-crystal BeO were measured to determine their magnitude relative to those of other hexagonal mater…
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Transition Metal Compounds
Electronic charge density and bonding in two NiAstype solids: TiS and VS
Abstract: The electronic band structure and charge densities for two transition metal monosulfides TiS and VS, with the NiAs-type structure h…
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Transition Metal Compounds
Total-energy and band-structure calculations for the semimagnetic Cd1-xMnxTe semiconductor alloy and its binary constituents
Abstract: Spin-polarized, self-consistent local-spin density total-energy and band-structure calculations have been performed for CdTe, antif…
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Transition Metal Compounds
Structural Properties of MnTe, ZnTe, and ZnMnTe
Abstract: Structural properties of ZnTe, MnTe, and Mn1−xZnxTe alloy with zinc- -blende, NiAs, and wurtzite phases were investigated by ab ini…
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Phase Transitions
Variation of Lattice Parameters in TiS-VS Solid Solutions
Abstract: Results of measurements of lattice parameters and densities in nonstoichiometric solid solutions of titanium and vanadium monosulfi…
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Transition Metal Compounds
Study of spin-ordering and spin-reorientation transitions in hexagonal manganites through Raman spectroscopy
Abstract Spin-wave (magnon) scattering, when clearly observed by Raman spectroscopy, can be simple and powerful for studying magnetic phase tran…
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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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Transition Metal Compounds
Electronic structure and magnetic properties of cubic and hexagonal SrMnO3
ABSTRACT Sr Mn O 3 is a rare example of a compound having both a cubic (high-temperature) and a hexagonal (low-temperature) perovskite polymor…
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