Quantum electronic pressure and crystal compressibility for magnesium diboride under simulated compression

The inner-crystal quantum electronic pressure was estimated for unstrained C6Cl6, C6Br6, and C6I6 crystals and for those under external compression simulated from 1 to 20 GPa. The changes in its distribution were analyzed for the main structural elements in considered crystals: for triangles of the typical halogen bonds assembled in Hal3-synthons, where Hal = Cl, Br, I; for Hal...Hal stacking interactions, as well as for covalent bonds. Under simulated external compression, the quantum electronic pressure in the intermolecular space reduces as the electron density increases, indicating spatial areas of relatively less crystal resistance to external compression. The most compliant C6Cl6 crystal shows the largest changes of quantum electronic pressure in the centre of Cl3-synthon while the deformation of rigid I3-synthon under external compression depends only on the features of I...I halogen bonds.

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Quantum electronic properties of matter

AccessScience ◽

10.1036/1097-8542.yb110108 ◽

2015 ◽

Keyword(s):

Electronic Properties ◽

Quantum Electronic

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Chemical Activation of Water Molecule by Collision with Spin–Orbit-State-Selected Vanadium Cation: Quantum-Electronic-State Control of Chemical Reactivity

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.0c07884 ◽

2020 ◽

Vol 124 (43) ◽

pp. 8884-8896

Author(s):

Yuntao Xu ◽

Yih-Chung Chang ◽

Matthew Parziale ◽

Anna Wannenmacher ◽

Cheuk-Yiu Ng

Keyword(s):

Water Molecule ◽

Electronic State ◽

Chemical Reactivity ◽

Chemical Activation ◽

Spin Orbit ◽

State Control ◽

Quantum Electronic

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Superconducting Arrays: Direct Pen Writing of High-T c , Flexible Magnesium Diboride Superconducting Arrays (Adv. Mater. 24/2015)

Advanced Materials ◽

10.1002/adma.201570158 ◽

2015 ◽

Vol 27 (24) ◽

pp. 3581-3581

Author(s):

Mianqi Xue ◽

Dong Chen ◽

Yujia Long ◽

Peipei Wang ◽

Lingxiao Zhao ◽

...

Keyword(s):

Magnesium Diboride ◽

Superconducting Arrays

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Multiphonon relaxation in laser materials and applications to the design of quantum electronic devices

IEEE Journal of Quantum Electronics ◽

10.1109/jqe.1968.1074938 ◽

1968 ◽

Vol 4 (10) ◽

pp. 609-612 ◽

Cited By ~ 14

Author(s):

L. Riseberg ◽

H. Moos ◽

W. Partlow

Keyword(s):

Electronic Devices ◽

Laser Materials ◽

Multiphonon Relaxation ◽

Quantum Electronic

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High Pressure Synthesized Magnesium Diboride- and Dodecaboride-Based Superconductors: Structure and Properties

Materials Science Forum ◽

10.4028/www.scientific.net/msf.670.21 ◽

2010 ◽

Vol 670 ◽

pp. 21-27 ◽

Cited By ~ 2

Author(s):

Tatiana Prikhna ◽

Wolfgang Gawalek ◽

Yaroslav Savchuk ◽

Athanasios G. Mamalis ◽

Vasiliy Tkach ◽

...

Keyword(s):

High Pressure ◽

Transition Temperature ◽

Critical Current Density ◽

Current Density ◽

Magnesium Diboride ◽

Synthesis Temperature ◽

Superconducting Transition ◽

Structure And Properties ◽

Synthesized Materials ◽

Critical Current Density Jc

The critical current density, jc, of high-pressure synthesized MgB2-based balk materials correlates with the amount and distribution of higher borides (MgB12) and Mg-B-O inclusions, which in tern correlates with the synthesis temperature and presence of additions (Ti, Ta, SiC). High-pressure-synthesized materials with near MgB12 composition of matrix exhibited superconducting transition temperature, Tc, of about 37 K, rather high jc (5∙105 and 103 A/cm2 in 0 T and 3.5 T, respectively, at 20 K) and doubled matrix microhardness: 25±1.1 GPa at 4.9 N –load as compared to materials with MgB2).

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