Electronic structure and low-temperature properties of V x Nb1?x N alloys

1984 ◽  
Vol 57 (5-6) ◽  
pp. 629-649 ◽  
Author(s):  
M. Dacorogna ◽  
T. Jarlborg ◽  
A. Junod ◽  
M. Pelizzone ◽  
M. Peter
Keyword(s):  
Electronic Structure ◽  
Low Temperature

ELECTRONIC STRUCTURE, ELECTRON-PHONON INTERACTIONS AND LOW-TEMPERATURE ANOMALIES IN A 15 COMPOUNDS

1978 ◽  
Vol 39 (C6) ◽  
pp. C6-416-C6-417
Author(s):  
B. M. Klein ◽  
L. L. Boyer ◽  
D. A. Papaconstantopoulos
Keyword(s):  
Electronic Structure ◽  
Low Temperature ◽  
Temperature Anomalies

Low temperature dynamics of surface and bulk electronic structure of quantum dots

2017 ◽  
Vol 4 (9) ◽  
pp. 094001
Author(s):  
G Krishnamurthy Grandhi ◽  
Renu Tomar ◽  
Ranjani Viswanatha
Keyword(s):  
Quantum Dots ◽  
Electronic Structure ◽  
Low Temperature ◽  
Temperature Dynamics

scholarly journals EPR Spectroscopy Study of the Radical Cation Cluster (η⁵-C₅H₅)(CO)₅ReFePt(μ₃-C=CHPh)(η²-Ph₂P(CH₂)₂PPh₂)

2019 ◽  
pp. 573-579
Author(s):  
Nikolay G. Maksimov ◽  
Victor V. Verpekin ◽  
Dmitry V. Zimonin ◽  
Galina V. Burmakina ◽  
Oleg S. Chudin ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Low Temperature ◽  
Radical Cation ◽  
Unpaired Electron ◽  
Iron Atom ◽  
Epr Spectroscopy ◽  
Binuclear Complex ◽  
Chemical Oxidation ◽  
Spectroscopy Study ◽  
Model Spectrum

The chemical oxidation of the cluster CpReFePt(μ3-C=CHPh)(CO)5(dppe) (Cp = η5-C5H5, dppe = η2- Ph2P(CH2)2PPh2) resulted in a radical cation [CpReFePt(μ3-C=CHPh)(CO)5(dppe)]+• that is sufficiently stable only at low temperature. An electronic structure of the radical cation was studied by EPR and following parameters were obtained by comparison of the experimental and model spectrum: gx = 2.070 gy = 2.0295 gz = 1.997; Ax(31P) = 17 Ay(31P) = 49 Az(31P) = 35 (Gs);Ax(195Pt) = 62 Ay(195Pt) = 45 Az(195Pt) = 105 (Gs). An unpaired electron is seen to be mainly concentrated on the iron atom (85-90%) and partially on the platinum atom (10-15%). Further transformation of the radical cation led to the formation of the binuclear complex Cp(CO)2RePt(μ-C=CHPh)(dppe) and the Fe-carbonyl fragment

scholarly journals Electronic structure, low-temperature transport and thermodynamic properties of polymorphic β-As2Te3

RSC Advances ◽  
2016 ◽  
Vol 6 (57) ◽  
pp. 52048-52057 ◽  
Author(s):  
J.-B. Vaney ◽  
J.-C. Crivello ◽  
C. Morin ◽  
G. Delaizir ◽  
J. Carreaud ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Low Temperature ◽  
Thermodynamic Properties ◽  
Transport Properties ◽  
Lattice Distortion ◽  
First Order

The first-order lattice distortion undergone by β-As2Te3 around 200 K results in a cycling effect on its transport properties.

scholarly journals Electronic structure ofSn/Si(111)3×3: Indications of a low-temperature phase

2000 ◽  
Vol 62 (12) ◽  
pp. 8082-8086 ◽  
Author(s):  
R. I. G. Uhrberg ◽  
H. M. Zhang ◽  
T. Balasubramanian ◽  
S. T. Jemander ◽  
N. Lin ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Low Temperature ◽  
Temperature Phase ◽  
Low Temperature Phase

scholarly journals Ab initio thermodynamic properties and their uncertainties for crystalline α-methanol

2017 ◽  
Vol 19 (44) ◽  
pp. 29940-29953 ◽  
Author(s):  
Ctirad Červinka ◽  
Gregory J. O. Beran
Keyword(s):  
Electronic Structure ◽  
Low Temperature ◽  
Thermodynamic Properties ◽  
Ab Initio ◽  
Molecular Crystals ◽  
Electronic Structure Methods

To investigate the performance of quasi-harmonic electronic structure methods for modeling molecular crystals at finite temperatures and pressures, thermodynamic properties are calculated for the low-temperature α polymorph of crystalline methanol and their computational uncertainties are analyzed.

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