Ground-state structures, physical properties and phase diagram of carbon-rich nitride C5N

2018 ◽  
Vol 30 (38) ◽  
pp. 385402 ◽  
Author(s):  
Qinghua Wu ◽  
Qianku Hu ◽  
Yiming Hou ◽  
Haiyan Wang ◽  
Aiguo Zhou ◽  
...  
Keyword(s):  
Phase Diagram ◽  
Physical Properties ◽  
Ground State ◽  
Ground State Structures

scholarly journals Ground state and stability of the fractional plateau phase in metallic Shastry–Sutherland system TmB4

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Matúš Orendáč ◽  
Slavomír Gabáni ◽  
Pavol Farkašovský ◽  
Emil Gažo ◽  
Jozef Kačmarčík ◽  
...  
Keyword(s):  
Magnetic Field ◽  
Phase Diagram ◽  
Ground State ◽  
Constant Magnetic Field ◽  
Paramagnetic Phase ◽  
The Other ◽  
Zero Field ◽  
Plateau Phase ◽  
Low Field ◽  
Zero Field Cooling

AbstractWe present a study of the ground state and stability of the fractional plateau phase (FPP) with M/Msat = 1/8 in the metallic Shastry–Sutherland system TmB4. Magnetization (M) measurements show that the FPP states are thermodynamically stable when the sample is cooled in constant magnetic field from the paramagnetic phase to the ordered one at 2 K. On the other hand, after zero-field cooling and subsequent magnetization these states appear to be of dynamic origin. In this case the FPP states are closely associated with the half plateau phase (HPP, M/Msat = ½), mediate the HPP to the low-field antiferromagnetic (AF) phase and depend on the thermodynamic history. Thus, in the same place of the phase diagram both, the stable and the metastable (dynamic) fractional plateau (FP) states, can be observed, depending on the way they are reached. In case of metastable FP states thermodynamic paths are identified that lead to very flat fractional plateaus in the FPP. Moreover, with a further decrease of magnetic field also the low-field AF phase becomes influenced and exhibits a plateau of the order of 1/1000 Msat.

Calculation of physical properties of glass via the phase diagram approach

2017 ◽  
Vol 457 ◽  
pp. 36-43 ◽  
Author(s):  
Q.Y. Zhang ◽  
W.J. Zhang ◽  
W.C. Wang ◽  
Z.H. Jiang
Keyword(s):  
Phase Diagram ◽  
Physical Properties ◽  
Diagram Approach

STRUCTURE, STABILITY, AND ELECTRONIC PROPERTIES OF LARGE FULLERENES

1993 ◽  
Vol 07 (26) ◽  
pp. 4305-4329 ◽  
Author(s):  
C.Z. WANG ◽  
B.L. ZHANG ◽  
K.M. HO ◽  
X.Q. WANG
Keyword(s):  
Total Energy ◽  
Electronic Properties ◽  
Ground State ◽  
Relative Stability ◽  
Chemical Reactivity ◽  
Structure Stability ◽  
Quantum Mechanical ◽  
Efficient Scheme ◽  
Ground State Structures ◽  
Fullerene Clusters

The recent development in understanding the structures, relative stability, and electronic properties of large fullerenes is reviewed. We describe an efficient scheme to generate the ground-state networks for fullerene clusters. Combining this scheme with quantum-mechanical total-energy calculations, the ground-state structures of fullerenes ranging from C 20 to C 100 have been studied. Fullerenes of sizes 60, 70, and 84 are found to be energetically more stable than their neighbors. In addition to the energies, the fragmentation stability and the chemical reactivity of the clusters are shown to be important in determining the abundance of fullerene isomers.

Exploring the Real Ground-State Structures of Molybdenum Dinitride

2016 ◽  
Vol 120 (20) ◽  
pp. 11060-11067 ◽  
Author(s):  
Shuyin Yu ◽  
Bowen Huang ◽  
Xiaojing Jia ◽  
Qingfeng Zeng ◽  
Artem R. Oganov ◽  
...  
Keyword(s):  
Ground State ◽  
The Real ◽  
Ground State Structures

Multiple Superconducting Phases in UTe2: A Complex Analogy to Superfluid Phases of 3He

2021 ◽  
Vol 1 ◽  
Author(s):  
Shinsaku Kambe ◽  
Keyword(s):  
Phase Diagram ◽  
Physical Properties ◽  
Low Temperatures ◽  
Quantum Statistics ◽  
Superconducting Phases ◽  
Fermion Systems ◽  
Quantum Liquids ◽  
Wave Symmetry ◽  
Ferromagnetic Interactions ◽  
Ordered State

In quantum liquids, large differences are observed owing to differences in quantum statistics. The physical properties of liquid <sup>3</sup>He (Fermion) and <sup>4</sup>He (Boson) are considerably different at low temperatures. After the discovery of superconductivity in electron (i.e., Fermion) systems, a similar pairing ordered state was expected for <sup>3</sup>He. Remarkably, the observed ordered state of <sup>3</sup>He was more surprising than expected, multiple superfluid phases in the <em>T-P</em> phase diagram. The origin of the multiple phases was attributed to ferromagnetic interactions in the <em>p</em>-wave symmetry state.

A Density Functional Study of Structures and Vibrations of Ta3O and Ta3O−

2005 ◽  
Vol 1 (4) ◽  
pp. 164-171 ◽  
Author(s):  
Patrizia Calaminici ◽  
Roberto Flores–Moreno ◽  
Andreas M. Köster
Keyword(s):  
Ground State ◽  
Photoelectron Spectroscopy ◽  
Density Functional ◽  
Equilibrium Structure ◽  
Negative Ion ◽  
Functional Study ◽  
Experimental Prediction ◽  
Extra Electron ◽  
Ground State Structures ◽  
Good Agreement

Density functional calculations of neutral and anionic tantalum trimer monoxide are presented. The calculations were performed employing scalar quasi–relativistic effective core potentials. Different isomers of Ta3O and Ta3O- were studied in order to determinethe ground state structures. For both systems a planar C2vstructure with an edge-boundoxygen atom was found as ground state. Equilibrium structure parameters, harmonic frequencies, adiabatic electron affinity and Kohn-Sham orbital diagrams are reported. The calculated values are in good agreement with the available experimental data obtained from negative ion photoelectron spectroscopy. The correlation diagram between the neutral and anionic Ta3O shows that, in agreement with the experimental prediction, the extra electron in the anionic system occupies a nonbonding orbital.

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