Results 21 to 30 of about 17,749,413 (318)
Condensed Matter Physics, 2020 We report an ab initio molecular dynamics simulation study of several static and dynamic properties of the liquid 3d transition metals. The calculated static structure factors show qualitative agreement with the available experimental data, and its ...
B.G. del Rio +4 more
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Minimum Length from First Principles [PDF]
, 2005 We show that no device or gedanken experiment is capable of measuring a distance less than the Planck length. By "measuring a distance less than the Planck length" we mean, technically, resolve the eigenvalues of the position operator to within that ...
Calmet, Xavier +2 more
core +3 more sources
First Principles Study on Li-doped and Li,O-codoped AlN
Medžiagotyra, 2019 This paper focuses on the detailed investigation of the structural and electronic properties of wurtzite AlN crystals doped by Li with and without oxygen with the first principles calculation.
Honglei WU +5 more
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Results in Physics, 2022 In this study, we investigated the structural, elastic, electronic, and thermodynamic properties of NbCoSn and VRhSn HH compounds using the first-principles calculations as implemented in the density functional theory (DFT).
Job W. Wafula +2 more
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Protein Repeats from First Principles [PDF]
, 2016 Some natural proteins display recurrent structural patterns. Despite being highly similar at the tertiary structure level, repeating patterns within a single repeat protein can be extremely variable at the sequence level. We use a mathematical definition
Becher, Veronica Andrea +4 more
core +1 more source
First-Principles View on Photoelectrochemistry: Water-Splitting as Case Study
Inorganics, 2017 Photoelectrochemistry is truly an interdisciplinary field; a natural nexus between chemistry and physics. In short, photoelectrochemistry can be divided into three sub-processes, namely (i) the creation of electron-hole pairs by light absorption; (ii ...
Anders Hellman, Baochang Wang
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Frontiers in Electronic Materials, 2022 High-performance thermoelectric (TE) materials rely on semiconductors with suitable intrinsic properties for which carrier concentrations can be controlled and optimized.
Ferdaushi Alam Bipasha +4 more
doaj +1 more source
Generalized entropies from first principles [PDF]
, 2001 We present a derivation of power law canonical distributions from first principle statistical mechanics, including the exponential distribution as a It is presented a derivation of power law canonical distributions from first principle statistical ...
Almeida, M. P.
core +1 more source
Derivation of OTFS Modulation From First Principles [PDF]
IEEE Transactions on Vehicular Technology, 2020 Orthogonal Time Frequency Space (OTFS) modulation has been recently proposed to be robust to channel induced Doppler shift in high mobility wireless communication systems.
S. K. Mohammed
semanticscholar +1 more source
A First-Principles Study of Zinc Oxide Honeycomb Structures [PDF]
, 2009 We present a first-principles study of the atomic, electronic, and magnetic properties of two-dimensional (2D), single and bilayer ZnO in honeycomb structure and its armchair and zigzag nanoribbons.
E. Bekaroglu +6 more
core +2 more sources