Zobrazeno 1 - 10
of 789
pro vyhledávání: '"Bernholc AS"'
Autor:
Jakowski, Jacek, Lu, Wenchang, Briggs, Emil, Lingerfelt, David, Sumpter, Bobby G., Ganesh, Panchapakesan, Bernholc, Jerzy
We present the theory, implementation, and benchmarking of a real-time time-dependent density functional theory (RT-TDDFT) module within the RMG code, designed to simulate the electronic response of molecular systems to external perturbations. Our me
Externí odkaz:
http://arxiv.org/abs/2410.09189
A new method for implementing the kinetic energy operator for real-space, grid-based electronic structure codes is developed. It is based on multi-order Adaptive Finite Differencing (AFD) and uses atomic pseudo orbitals produced by the corresponding
Externí odkaz:
http://arxiv.org/abs/2303.01937
Autor:
Jacob D. Teeter, Mamun Sarker, Wenchang Lu, Chenggang Tao, Arthur P. Baddorf, Jingsong Huang, Kunlun Hong, Jerry Bernholc, Alexander Sinitskii, An-Ping Li
Publikováno v:
Communications Chemistry, Vol 7, Iss 1, Pp 1-7 (2024)
Abstract Graphene nanoribbons (GNRs) of precise size and shape, critical for controlling electronic properties and future device applications, can be realized via precision synthesis on surfaces using rationally designed molecular precursors. Fluorin
Externí odkaz:
https://doaj.org/article/cee5f067fc0b4e6c9f32e66235bc8481
Publikováno v:
In Nano Energy September 2024 128 Part B
Publikováno v:
npj Computational Materials, Vol 10, Iss 1, Pp 1-9 (2024)
Abstract A multi-order Adaptive Finite Differencing (AFD) method is developed for the kinetic energy operator in real-space, grid-based electronic structure codes. It uses atomic pseudo orbitals produced by the corresponding pseudopotential codes to
Externí odkaz:
https://doaj.org/article/83875aa69bb4467a87885524a922a697
Autor:
Lüpke, Felix, Pham, Anh D., Zhao, Yi-Fan, Zhou, Ling-Jie, Lu, Wenchang, Briggs, Emil, Bernholc, Jerzy, Kolmer, Marek, Ko, Wonhee, Chang, Cui-Zu, Ganesh, Panchapakesan, Li, An-Ping
The interplay of non-trivial band topology and magnetism gives rise to a series of exotic quantum phenomena, such as the emergent quantum anomalous Hall (QAH) effect and topological magnetoelectric effect. Many of these quantum phenomena have local m
Externí odkaz:
http://arxiv.org/abs/2101.08247
Autor:
Zhang, Jiayong, Cheng, Yongqiang, Kolesnikov, Alexander I., Bernholc, J., Lu, Wenchang, Ramirez-Cuesta, Anibal J.
The anharmonic phenomena in Zirconium Hydrides and Deuterides, including {\epsilon}-ZrH2, {\gamma}-ZrH, and {\gamma}-ZrD, have been investigated from aspects of inelastic neutron scattering (INS) and lattice dynamics calculations within the framework
Externí odkaz:
http://arxiv.org/abs/2002.04570
Autor:
Ma, Chuanxu, Xiao, Zhongcan, Lu, Wenchang, Huang, Jingsong, Hong, Kunlun, Bernholc, Jerzy, Li, An-Ping
The influence of substrate steps on the bottom-up synthesis of atomically precise graphene nanoribbons (GNRs) on an Au(111) surface is investigated. A straight surface step is found to promote the assembly of long and compact arrays of polymers with
Externí odkaz:
http://arxiv.org/abs/1909.03876
Akademický článek
Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.
K zobrazení výsledku je třeba se přihlásit.
Autor:
Ma, Chuanxu, Xiao, Zhongcan, Huang, Jingsong, Liang, Liangbo, Lu, Wenchang, Hong, Kunlun, Sumpter, Bobby G., Bernholc, J., Li, An-Ping
Publikováno v:
Phys. Rev. Materials 3, 016001 (2019)
Precision control of interfacial structures and electronic properties is the key to the realization of functional heterostructures. Here, utilizing the scanning tunneling microscope (STM) both as a manipulation and characterization tool, we demonstra
Externí odkaz:
http://arxiv.org/abs/1810.09504