2000
DOI: 10.1088/0953-8984/12/37/304
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Dynamics of silica glass: two-level tunnelling states and low-energy floppy modes

Abstract: We present the results of a computational study of the low-energy dynamics of silica glass. Molecular dynamics simulation results show that parts of the glass structure can undergo large cooperative reorientations of SiO4 tetrahedra. These motions involve reorientations of about 30 tetrahedra with an energy barrier of about 0.06 eV. We relate these motions to the presence of double-well potentials which give rise to two-level tunnelling states in the model, thereby providing the mechanism for the anomalous low… Show more

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Cited by 62 publications
(99 citation statements)
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“…Empirically a boson peak is observed in all these materials [95]. Numerically, a plateau indeed appears in D(ω) at roughly the same frequency in the cristobalite α and β [68] and in the glass, as shown in Fig. (8.2).…”
Section: The Boson Peak Of Silicamentioning
confidence: 51%
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“…Empirically a boson peak is observed in all these materials [95]. Numerically, a plateau indeed appears in D(ω) at roughly the same frequency in the cristobalite α and β [68] and in the glass, as shown in Fig. (8.2).…”
Section: The Boson Peak Of Silicamentioning
confidence: 51%
“…Indeed, a tetrahedral network is isostatic, see e.g. [68]. The counting of degrees of freedom can be made as follows: on the one hand each tetrahedron has 6 degrees of freedom (3 rotations and 3 translations).…”
Section: Application To Tetrahedral Networkmentioning
confidence: 99%
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“…This suggests modeling silica as an assembly of stiff tetrahedra connected by flexible joints, the RUM model [123], as sketched in Fig. 1.14.…”
Section: Low-temperature Excitations and The Boson Peak In Covalent Gmentioning
confidence: 99%
“…Trachenko et al [144], [145] have been investigating the network rigidity of GeO 2 and SiO 2 under pressure. Rigidity usually appears when the number of mechanical constraints per atom, arising from interatomic interaction (mostly bond stretching and bond bending) becomes greater than the number of degrees of freedom [146].…”
Section: Pressure Induced Rigidity and Intermediate Phasesmentioning
confidence: 99%