Работы, на которые ссылается эта работа

Работ: 95

Работа: Theoretical Investigation of Lead Perovskite PbXO3 (X = Ti, Zr, and Hf) for Potential Thermoelectric Applications: Hybrid-DFT Approach

Elastic constants versus melting temperature in metals
M. E. Fine, L.D. Brown, H.L. Marcus
Статья1984Цитирований: 6
ABI
Quantum‐mechanical condensed matter simulations with CRYSTAL
Roberto Dovesi, Alessandro Erba, Roberto Orlando +8
Статья2018Цитирований: 6
ABI
BSSE‐correction scheme for consistent gaussian basis sets of double‐ and triple‐zeta valence with polarization quality for solid‐state calculations
Daniel Vilela Oliveira, Joachim Laun, Michael F. Peintinger +1
Статья2019Цитирований: 6
ABI
Lattice dynamics, mechanical stability and electronic structure of Fe-based Heusler semiconductors
Shakeel Ahmad Khandy, Ishtihadah Islam, Dinesh C. Gupta +2
Статья2019Цитирований: 5
ABI
Constant-temperature molecular dynamics
Shūichi Nosé
Статья1990Цитирований: 5
ABI
Electro-optics of perovskite solar cells
Qianqian Lin, Ardalan Armin, Ravi Chandra Raju Nagiri +2
Статья2014Цитирований: 5
ABI
Recent advancements on the sustainable biochar based semiconducting materials for photocatalytic applications: A state of the art review
P. Bhavani, Murid Hussain, Young‐Kwon Park
Статья2021Цитирований: 4
ABI
Transport coefficients from first-principles calculations
Thomas J. Scheidemantel, Claudia Draxl, Timo Thonhauser +2
Статья2003Цитирований: 4
ABI
Pressure effect on the structural and elastic property of Hf2InC
Haichuan Chen, Lijun Yang
Статья2011Цитирований: 4
ABI
Semiconducting materials for photoelectrochemical energy conversion
Kevin Sivula, Roel van de Krol
Обзорная статья2016Цитирований: 3
ABI
Zur Theorie der spezifischen Wärmen
P. Debye
Статья1912Цитирований: 3
ABI
Comparison of Density Functional and MP2 Calculations on the Water Monomer and Dimer
K. Kim, Kenneth D. Jordan
Статья1994Цитирований: 3
ABI
Hardness of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>T</mml:mi></mml:math>-carbon: Density functional theory calculations
Xing‐Qiu Chen, Haiyang Niu, Cesare Franchini +2
Статья2011Цитирований: 3
ABI
Computational Simulations of Thermoelectric Transport Properties
Byungki Ryu, Min‐Wook Oh
Статья2016Цитирований: 3
ABI
Solving the Christoffel equation: Phase and group velocities
Jan Jaeken, Stefaan Cottenier
Статья2016Цитирований: 3
ABI
Elastic anisotropy of crystals
Christopher M. Kube
Статья2016Цитирований: 3
ABI
The electronic, elastic and thermodynamic properties of carbon-and nitrogen-doped Hf2PB: a theoretical approach
Heng Zhang, Yong Tang, Xiangli Zhong +4
Статья2018Цитирований: 3
ABI
<scp>BSSE‐corrected</scp> consistent Gaussian basis sets of <scp>triple‐zeta</scp> valence with polarization quality of the fifth period for <scp>solid‐state</scp> calculations
Joachim Laun, Thomas Bredow
Статья2022Цитирований: 3
ABI
Molecular dynamics simulations at constant pressure and/or temperature
Hans Christian Andersen
Статья1980Цитирований: 2
ABI
Realising the potential of thermoelectric technology: a Roadmap
Robert Freer, Anthony V. Powell
Статья2019Цитирований: 2
ABI
Thermoelectric Properties of p-Type Cu2O, CuO, and NiO from Hybrid Density Functional Theory
Jarno Linnera, Giuseppe Sansone, Lorenzo Maschio +1
Статья2018Цитирований: 2
ABI
Peculiar electric and photoelectric behavior of lead-containing perovskite-type oxides
O. I. Prokopalo, I. P. Raevskii, M. A. Malitskaya +3
Статья1982Цитирований: 2
ABI
Без названия
ДругоеЦитирований: 2
ABI
Calculation of debye temperature for crystalline structures—a case study on Ti, Zr, and Hf
Qing Chen, Bo Sundman
Статья2001Цитирований: 2
ABI
Crystal Structure and Pair Potentials: A Molecular-Dynamics Study
Michele Parrinello, A. Rahman
Статья1980Цитирований: 2
ABI

Работы, на которые ссылается эта работа

Elastic constants versus melting temperature in metals

Quantum‐mechanical condensed matter simulations with CRYSTAL

BSSE‐correction scheme for consistent gaussian basis sets of double‐ and triple‐zeta valence with polarization quality for solid‐state calculations

Lattice dynamics, mechanical stability and electronic structure of Fe-based Heusler semiconductors

Constant-temperature molecular dynamics

Electro-optics of perovskite solar cells

Recent advancements on the sustainable biochar based semiconducting materials for photocatalytic applications: A state of the art review

Transport coefficients from first-principles calculations

Pressure effect on the structural and elastic property of Hf2InC

Semiconducting materials for photoelectrochemical energy conversion

Zur Theorie der spezifischen Wärmen

Comparison of Density Functional and MP2 Calculations on the Water Monomer and Dimer

Hardness of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>T</mml:mi></mml:math>-carbon: Density functional theory calculations

Computational Simulations of Thermoelectric Transport Properties

Solving the Christoffel equation: Phase and group velocities

Elastic anisotropy of crystals

The electronic, elastic and thermodynamic properties of carbon-and nitrogen-doped Hf<sub>2</sub>PB: a theoretical approach

<scp>BSSE‐corrected</scp> consistent Gaussian basis sets of <scp>triple‐zeta</scp> valence with polarization quality of the fifth period for <scp>solid‐state</scp> calculations

Molecular dynamics simulations at constant pressure and/or temperature

Realising the potential of thermoelectric technology: a Roadmap

Thermoelectric Properties of p-Type Cu<sub>2</sub>O, CuO, and NiO from Hybrid Density Functional Theory

Peculiar electric and photoelectric behavior of lead-containing perovskite-type oxides

Без названия

Calculation of debye temperature for crystalline structures—a case study on Ti, Zr, and Hf

Crystal Structure and Pair Potentials: A Molecular-Dynamics Study