1-20 of 2069
Ab-initio methods
Close
Save search
Follow your search
Access your saved searches in your account
Close Modal
Sort by
Journal Articles

High-pressure polyhedral interaction in CsSnI3

Yujiao Cao, Jie Wei, Xiaogeng Huo, Youchun Wang, Ketao Yin
Journal: Applied Physics Letters
Appl. Phys. Lett. 126, 121902 (2025)
https://doi.org/10.1063/5.0257590
Published: March 2025
View article titled, High-pressure polyhedral interaction in CsSnI<sub>3</sub>
Open the PDF for High-pressure polyhedral interaction in CsSnI<sub>3</sub> in another window
Journal Articles

Phonon thermal transport in two-dimensional gallium nitride: Role of higher-order phonon–phonon and phonon–electron scattering

Jianshi Sun, Xiangjun Liu, Yucheng Xiong, Yuhang Yao, Xiaolong Yang, Cheng Shao, Renzong Wang, Shouhang Li
Journal: Applied Physics Letters
Appl. Phys. Lett. 126, 112112 (2025)
https://doi.org/10.1063/5.0256246
Published: March 2025
View article titled, Phonon thermal transport in two-dimensional gallium nitride: Role of higher-order phonon–phonon and phonon–electron scattering
Open the PDF for Phonon thermal transport in two-dimensional gallium nitride: Role of higher-order phonon–phonon and phonon–electron scattering in another window
Journal Articles

Investigation on the structural and electronic property of monoclinic Al2O3/β-Ga2O3 superlattice with varying layer periods

Jiahe Cao, Yan Wang, Chuang Zhang, Guofeng Hu, Weihua Tang, Guosong Zeng, Daniela Gogova, Chee-Keong Tan
Journal: Applied Physics Letters
Appl. Phys. Lett. 126, 112111 (2025)
https://doi.org/10.1063/5.0252684
Published: March 2025
View article titled, Investigation on the structural and electronic property of monoclinic Al<sub>2</sub>O<sub>3</sub>/β-Ga<sub>2</sub>O<sub>3</sub> superlattice with varying layer periods
Open the PDF for Investigation on the structural and electronic property of monoclinic Al<sub>2</sub>O<sub>3</sub>/β-Ga<sub>2</sub>O<sub>3</sub> superlattice with varying layer periods in another window
Journal Articles

Large out-of-plane piezoelectric response of ferromagnetic monolayer MoXF (X = S, Se): First principles predictions

Shiyu Xiao, Songli Dai, Furong Xu, Heng Wang, Zhigang Yu, Zean Tian
Journal: Applied Physics Letters
Appl. Phys. Lett. 126, 112110 (2025)
https://doi.org/10.1063/5.0255746
Published: March 2025
View article titled, Large out-of-plane piezoelectric response of ferromagnetic monolayer MoXF (X = S, Se): First principles predictions
Open the PDF for Large out-of-plane piezoelectric response of ferromagnetic monolayer MoXF (X = S, Se): First principles predictions in another window
Journal Articles

Coexistence of Dirac nodal loops and triply degenerate nodal points in three-dimensional interpenetrated α-graphyne

Pinglan Yan, Yuke Song, Shifang Li, Xizhi Shi, Jin Li, Chaoyu He, Tao Ouyang, Chao Tang, Jianxin Zhong
Journal: Applied Physics Letters
Appl. Phys. Lett. 126, 111906 (2025)
https://doi.org/10.1063/5.0251784
Published: March 2025
View article titled, Coexistence of Dirac nodal loops and triply degenerate nodal points in three-dimensional interpenetrated <em>α</em>-graphyne
Open the PDF for Coexistence of Dirac nodal loops and triply degenerate nodal points in three-dimensional interpenetrated <em>α</em>-graphyne in another window
Journal Articles

Tunable spin/valley splitting and multiple Hall effects in interlayer coupling-dependent SVSiN2 multiferroic bilayers

Yunxi Qi, Jun Zhao, Hui Zeng
Journal: Applied Physics Letters
Appl. Phys. Lett. 126, 112106 (2025)
https://doi.org/10.1063/5.0241163
Published: March 2025
View article titled, Tunable spin/valley splitting and multiple Hall effects in interlayer coupling-dependent SVSiN<sub>2</sub> multiferroic bilayers
Open the PDF for Tunable spin/valley splitting and multiple Hall effects in interlayer coupling-dependent SVSiN<sub>2</sub> multiferroic bilayers in another window
Journal Articles

High-pressure and high-temperature induced phase transition and thermoelectric property modulation in CoSbS

Mengxiang Yang, Hongyu Zhu, Shuai Duan, Jingyang Du, Shangsheng Li, Xiaobing Liu, Taichao Su
Journal: Applied Physics Letters
Appl. Phys. Lett. 126, 111902 (2025)
https://doi.org/10.1063/5.0259170
Published: March 2025
View article titled, High-pressure and high-temperature induced phase transition and thermoelectric property modulation in CoSbS
Open the PDF for High-pressure and high-temperature induced phase transition and thermoelectric property modulation in CoSbS in another window
Journal Articles

Strain-induced κ-to-β phase transition and intermediate layer formation at the κ-Ga2O3/β-Ga2O3 interface

Songhao Gu, Ke Xu, Mei Cui, Fang-Fang Ren, Shulin Gu, Rong Zhang, Jiandong Ye
Journal: Applied Physics Letters
Appl. Phys. Lett. 126, 101602 (2025)
https://doi.org/10.1063/5.0254348
Published: March 2025
View article titled, Strain-induced <em>κ</em>-to-<em>β</em> phase transition and intermediate layer formation at the <em>κ</em>-Ga<sub>2</sub>O<sub>3</sub>/<em>β</em>-Ga<sub>2</sub>O<sub>3</sub> interface
Open the PDF for Strain-induced <em>κ</em>-to-<em>β</em> phase transition and intermediate layer formation at the <em>κ</em>-Ga<sub>2</sub>O<sub>3</sub>/<em>β</em>-Ga<sub>2</sub>O<sub>3</sub> interface in another window
Journal Articles

Fano interference in single-molecule transistors

Yiping Ouyang, Rui Wang, Zewen Wu, Deping Guo, Yang-Yang Ju, Jun Chen, Minhao Zhang, Danfeng Pan, Xuecou Tu, Shuai Zhang, Lin Kang, Jian Chen, Peiheng Wu, Xuefeng Wang, Jianguo Wan, Wei Ji, Xianghua Kong, Yuan-Zhi Tan, Fengqi Song
Journal: Applied Physics Letters
Appl. Phys. Lett. 126, 103102 (2025)
https://doi.org/10.1063/5.0254457
Published: March 2025
View article titled, Fano interference in single-molecule transistors
Open the PDF for Fano interference in single-molecule transistors in another window
Journal Articles

Charge balance effect on the phase stability and reliability in doped HfO2-ZrO2 superlattice films for further DRAM capacitors: A first-principles study

Ting Zhang, Maokun Wu, Miaojia Yuan, Yichen Wen, Yilin Hu, Xuepei Wang, Boyao Cui, Jinhao Liu, Yishan Wu, Hong Dong, Feng Lu, Wei-Hua Wang, Pengpeng Ren, Sheng Ye, Hong-Liang Lu, Runsheng Wang, Zhigang Ji, Ru Huang
Journal: Applied Physics Letters
Appl. Phys. Lett. 126, 102901 (2025)
https://doi.org/10.1063/5.0252127
Published: March 2025
View article titled, Charge balance effect on the phase stability and reliability in doped HfO<sub>2</sub>-ZrO<sub>2</sub> superlattice films for further DRAM capacitors: A first-principles study
Open the PDF for Charge balance effect on the phase stability and reliability in doped HfO<sub>2</sub>-ZrO<sub>2</sub> superlattice films for further DRAM capacitors: A first-principles study in another window
Journal Articles

Enhancing excited-state population of perylenequinone photosensitizer with asymmetric laser pulses

Yongkang Lyu, Yu Zhao, Qingtian Meng, Changzhe Zhang
Journal: Applied Physics Letters
Appl. Phys. Lett. 126, 103701 (2025)
https://doi.org/10.1063/5.0251659
Published: March 2025
View article titled, Enhancing excited-state population of perylenequinone photosensitizer with asymmetric laser pulses
Open the PDF for Enhancing excited-state population of perylenequinone photosensitizer with asymmetric laser pulses in another window
Journal Articles

Spin Hall effect in 3d ferromagnetic metals for field-free switching of perpendicular magnetization: A first-principles investigation

Fanxing Zheng, Jianting Dong, Yizhuo Song, Meng Zhu, Xinlu Li, Jia Zhang
Journal: Applied Physics Letters
Appl. Phys. Lett. 126, 092408 (2025)
https://doi.org/10.1063/5.0255152
Published: March 2025
View article titled, Spin Hall effect in 3<em>d</em> ferromagnetic metals for field-free switching of perpendicular magnetization: A first-principles investigation
Open the PDF for Spin Hall effect in 3<em>d</em> ferromagnetic metals for field-free switching of perpendicular magnetization: A first-principles investigation in another window
Journal Articles

High-pressure modulation of altermagnetism in MnF2

Zhenyu Fan, Zhengming Zhang, Hongchang Wang, Jianhu Gong, Dunhui Wang, Baomin Wang
Journal: Applied Physics Letters
Appl. Phys. Lett. 126, 082409 (2025)
https://doi.org/10.1063/5.0249477
Published: February 2025
View article titled, High-pressure modulation of altermagnetism in MnF<sub>2</sub>
Open the PDF for High-pressure modulation of altermagnetism in MnF<sub>2</sub> in another window
Journal Articles

Valley polarization in two-dimensional zero-net-magnetization magnets

Editor’s Pick
San-Dong Guo
Journal: Applied Physics Letters
Appl. Phys. Lett. 126, 080502 (2025)
https://doi.org/10.1063/5.0250823
Published: February 2025
View article titled, Valley polarization in two-dimensional zero-net-magnetization magnets
Open the PDF for Valley polarization in two-dimensional zero-net-magnetization magnets in another window
Journal Articles

Band engineering for large perpendicular magnetocrystalline anisotropy and low magnetic Gilbert damping constant by anion substitution at Fe/MgO interface

Y.-N. Apriati, K. Nawa, K. Nakamura
Journal: Applied Physics Letters
Appl. Phys. Lett. 126, 082403 (2025)
https://doi.org/10.1063/5.0248379
Published: February 2025
View article titled, Band engineering for large perpendicular magnetocrystalline anisotropy and low magnetic Gilbert damping constant by anion substitution at Fe/MgO interface
Open the PDF for Band engineering for large perpendicular magnetocrystalline anisotropy and low magnetic Gilbert damping constant by anion substitution at Fe/MgO interface in another window
Journal Articles

Quasi-homoepitaxy of hexagonal boron nitride on its own interfacial insertion monolayer

Peng Shen, Maowei Yang, Yiwei Duo, Shini Yang, Lucheng Yu, Yaxiao Lou, Zekai Hu, Yimeng Wang, Feiya Xu, Na Gao, Xiaohong Chen, Shengrong Huang, Tongbo Wei, Duanjun Cai, Junyong Kang
Journal: Applied Physics Letters
Appl. Phys. Lett. 126, 072104 (2025)
https://doi.org/10.1063/5.0245062
Published: February 2025
View article titled, Quasi-homoepitaxy of hexagonal boron nitride on its own interfacial insertion monolayer
Open the PDF for Quasi-homoepitaxy of hexagonal boron nitride on its own interfacial insertion monolayer in another window
Journal Articles

Coexistence of topological nodal lines and Weyl nodes in a room-temperature half-metallic ferromagnet Cr3Si2Te6

Jia-wan Li, Cui-Qun Chen, Lin Zhuang, Dao-Xin Yao, Yusheng Hou
Journal: Applied Physics Letters
Appl. Phys. Lett. 126, 072407 (2025)
https://doi.org/10.1063/5.0248656
Published: February 2025
View article titled, Coexistence of topological nodal lines and Weyl nodes in a room-temperature half-metallic ferromagnet Cr<sub>3</sub>Si<sub>2</sub>Te<sub>6</sub>
Open the PDF for Coexistence of topological nodal lines and Weyl nodes in a room-temperature half-metallic ferromagnet Cr<sub>3</sub>Si<sub>2</sub>Te<sub>6</sub> in another window
Journal Articles

First-principles insights into Bi2XO5 (X = Se, Te) monolayers as high-k gate dielectrics for 2D electronics

Huan Liu, Lixiang Rao, Junjie Qi, Gang Tang
Journal: Applied Physics Letters
Appl. Phys. Lett. 126, 072901 (2025)
https://doi.org/10.1063/5.0242581
Published: February 2025
View article titled, First-principles insights into Bi<sub>2</sub>XO<sub>5</sub> (X = Se, Te) monolayers as high-<em>k</em> gate dielectrics for 2D electronics
Open the PDF for First-principles insights into Bi<sub>2</sub>XO<sub>5</sub> (X = Se, Te) monolayers as high-<em>k</em> gate dielectrics for 2D electronics in another window
Journal Articles

Stacking-dependent tunable valley splitting in Janus SMoSiN2-based van der Waals heterostructure

Hui Zeng, Weijie Zhang, Chengyu Qiu, Jun Zhao, Dazhi Ding
Journal: Applied Physics Letters
Appl. Phys. Lett. 126, 061603 (2025)
https://doi.org/10.1063/5.0250449
Published: February 2025
View article titled, Stacking-dependent tunable valley splitting in Janus SMoSiN<sub>2</sub>-based van der Waals heterostructure
Open the PDF for Stacking-dependent tunable valley splitting in Janus SMoSiN<sub>2</sub>-based van der Waals heterostructure in another window
Journal Articles

Distinct effects of Na and heavy alkali (K, Rb) incorporation in Cu(In, Ga)Se2 solar cells

Yinglin Guan, Qinglin Zhang, Ye Xiao, Minru Wen, Le Huang
Journal: Applied Physics Letters
Appl. Phys. Lett. 126, 062101 (2025)
https://doi.org/10.1063/5.0252470
Published: February 2025
View article titled, Distinct effects of Na and heavy alkali (K, Rb) incorporation in Cu(In, Ga)Se<sub>2</sub> solar cells
Open the PDF for Distinct effects of Na and heavy alkali (K, Rb) incorporation in Cu(In, Ga)Se<sub>2</sub> solar cells in another window