Search Results - "Bersuker, Isaac B"

Jahn–Teller and Pseudo-Jahn–Teller Effects: From Particular Features to General Tools in Exploring Molecular and Solid State Properties by Bersuker, Isaac B

“…In a generalization of the latest achievements in this field, and as a pattern of massive applications, we present here the Jahn–Teller effect (JTE) and…”
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The Jahn–Teller and Pseudo-Jahn–Teller Effects: A Unique and Only Source of Spontaneous Symmetry Breaking in Atomic Matter by Bersuker, Isaac B.

“…In a mostly review paper, we show that the important problem of symmetry, broken symmetry, and spontaneous broken symmetry of polyatomic systems is directly…”
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Modern Aspects of the Jahn−Teller Effect Theory and Applications To Molecular Problems by Bersuker, Isaac B

“…Bersuker begins his review with a statement that the so-called Jahn-Teller (JT) effect (JTE), pseudoJTE (PJTE), and Renner-Teller effect (RTE), jointly JT…”
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Origin of Perovskite Multiferroicity and Magnetoelectric-Multiferroic Effects—The Role of Electronic Spin in Spontaneous Polarization of Crystals by Bersuker, Isaac B.

“…In this semi-review paper, we show that the multiferroic properties of perovskite ABO3 crystals with B(dn), n > 0, centers are fully controlled by the…”
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Pseudo-Jahn–Teller EffectA Two-State Paradigm in Formation, Deformation, and Transformation of Molecular Systems and Solids by Bersuker, Isaac B

“…A study aimed to predict both necessary and sufficient conditions of novel properties based on the Pseudo-Jahn-Teller Effect (PJTE), focusing on how PJTE…”
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Pseudo Jahn-Teller origin of perovskite multiferroics, magnetic-ferroelectric crossover, and magnetoelectric effects: the d0-d10 problem by Bersuker, Isaac B

“…The conditions of multiferroicity in d(n) perovskites are derived from the pseudo Jahn-Teller effect, due to which ferroelectric displacements are triggered by…”
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Pseudo Jahn-Teller origin of cis-trans and other conformational changes. The role of double bonds by Garcia-Fernandez, Pablo, Liu, Yang, Bersuker, Isaac B, Boggs, James E

“…Based on the pseudo Jahn-Teller effect (PJTE) theory, an approach is developed to rationalize and predict the conformations and conformational changes in…”
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Giant permittivity and electrostriction induced by dynamic Jahn-Teller and pseudo Jahn-Teller effects by Bersuker, Isaac B.

“…We revealed specific properties of molecular systems and solids with dynamic Jahn-Teller effect (JTE) or pseudo JTE (PJTE) that enhance permittivity and…”
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Perovskite Crystals: Unique Pseudo-Jahn–Teller Origin of Ferroelectricity, Multiferroicity, Permittivity, Flexoelectricity, and Polar Nanoregions by Bersuker, Isaac B., Polinger, Victor

“…In a semi-review paper, we show that the local pseudo-Jahn–Teller effect (PJTE) in transition metal B ion center of ABO3 perovskite crystals, notably BaTiO3,…”
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Geometry, Electronic Structure, and Pseudo Jahn-Teller Effect in Tetrasilacyclobutadiene Analogues by Liu, Yang, Wang, Ya, Bersuker, Isaac B.

“…We revealed the origin of the structural features of a series of tetrasilacyclobutadiene analogues based on a detailed study of their electronic structure and…”
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Class of molecular and solid state systems with correlated magnetic and dielectric bistabilities induced by the pseudo Jahn-Teller effect by Garcia-Fernandez, Pablo, Bersuker, Isaac B

“…Based on the earlier revealed hidden pseudo Jahn-Teller effect which essentially involves excited electronic states we show that, with extension to solids,…”
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Pseudo Jahn–Teller effect in distortion and restoration of planar configurations of tetra-heterocyclic 1,2-diazetes C2N2E4, E=H, F, Cl, Br by Ilkhani, Ali R., Gorinchoy, Natalia N., Bersuker, Isaac B.

“…[Display omitted] •The pseudo Jahn–Teller mechanism of puckering of tetracyclic 1,2-diazetes is revealed.•Vibronic constants are extracted from ab initio…”
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Spin Crossover and Magnetic-Dielectric Bistability Induced by Hidden Pseudo-Jahn–Teller Effect by Bersuker, Isaac B.

“…In a semi-review paper, we show that the hidden Jahn–Teller effect (JTE) and pseudo-JTE (PJTE) in molecular systems and solids, under certain conditions lead…”
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Novel Effect Induced by Pseudo-Jahn–Teller Interactions: Broken Cylindrical Symmetry in Linear Molecules by Hermoso, Willian, Liu, Yang, Bersuker, Isaac B

“…It is shown that in linear molecules the pseudo-Jahn–Teller (PJT) interaction of a Σ or Π term with a Δ term induces a bending instability that is angular…”
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Pseudo Jahn–Teller Origin of Nonplanarity and Rectangular-Ring Structure of Tetrafluorocyclobutadiene by Liu, Yang, Bersuker, Isaac B, Garcia-Fernandez, Pablo, Boggs, James E

“…It is shown that the pseudo Jahn–Teller effect (PJTE) in combination with ab initio calculations explains the origin of instability of the planar configuration…”
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Comment on “Frequency Upshift in BO2 and CO2 + upon Electronic Excitation: A Twin-State Model Rationalization” by Bersuker, Isaac B

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Combined Jahn−Teller and Pseudo-Jahn−Teller Effect in the CO3 Molecule: A Seven-State Six-Mode Problem by Liu, Yang, Bersuker, Isaac B, Zou, Wenli, Boggs, James E

“…A complicated problem of seven electronic states in four terms, 1A1′, 1E′′, 11E′, and 21E′, interacting with six vibrational modes, a 1′, a 2′′, e′, and e′,…”
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Magnetoacoustic Relaxation by Cr2+ Jahn–Teller Centers Revealed from Elastic Moduli by Gudkov, Vladimir V., Bersuker, Isaac B., Zhevstovskikh, Irina V., Sarychev, Maksim N., Zherlitsyn, Sergei, Yasin, Shadi, Korostelin, Yuri V.

“…Magnetoacoustic investigations of the ZnSe:Cr2+ crystal with sphalerite structure, performed in Faraday geometry, show that there is a new channel of…”
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Pseudo Jahn–Teller origin of bending instability of triatomic molecules by Kayi, Hakan, Bersuker, Isaac B., Boggs, James E.

“…For several decades the bending of linear molecules in degenerate states has been assumed to be due to the Renner–Teller effect (RTE), whereas the pseudo…”
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QSAR without arbitrary descriptors: the electron-conformational method by Bersuker, Isaac B.

“…The electron-conformational (EC) method in QSAR problems employs a unique (based on first principles) descriptor of molecular properties that incorporates the…”
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