نتایج جستجو برای: structural transition
تعداد نتایج: 642030 فیلتر نتایج به سال:
A phase transition in an organic charge-transfer complex, which originates from the neutral-ionic valence instability, can be tuned toward zero kelvin with use of external pressure or chemical modification as a control parameter. The phase diagram and observed dielectric behaviors are typical of quantum paraelectricity, yet this zero-kelvin transition point namely, the quantum critical point, a...
Latent state-trait (LST) and latent growth curve (LGC) models are frequently used in the analysis of longitudinal data. Although it is well-known that standard single-indicator LGC models can be analyzed within either the structural equation modeling (SEM) or multilevel (ML; hierarchical linear modeling) frameworks, few researchers realize that LST and multivariate LGC models, which use multipl...
Structural and electronic properties of double perovskites Sr2BWO6 (B = Co, Ni, Cu) were studied for each of three magnetic configurations nonmagnetic, ferromagnetic, and antiferromagnetic by using density functional theory in generalized gradient approximations (GGA) and strong correlation correction (GGA + U). Due to magnetic transition from antiferromagnetic to nonmagnetic phase, an electr...
the one-third paradigm of pbe0 density functional, pbe0-1/3, has shown to be a successful method for various properties. in this paper, the applicability of pbe0-1/3 is put into broader perspective for transition metals chemistry. as a comparative study, the performance of pbe0 and pbe0-1/3 has been assessed for geometries and vibrational frequencies of some transition metal hydrides and transi...
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